12765315
  -OEChem-09071709532D

 41 42  0     0  0  0  0  0  0999 V2000
    3.7320    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    3.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    3.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 40  1  0  0  0  0
  5  7  1  0  0  0  0
  5 41  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  8 15  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12765315

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
286

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAAAAAAAHAAQQAAACCjBAAQAAABAAAAAAAAAADAAAAAAAAAAAIAAAAAAAAIAgAAAAAAAEAAAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(cyclohexylsulfamoyl)cyclohexanamine

> <PUBCHEM_IUPAC_CAS_NAME>
N-(cyclohexylsulfamoyl)cyclohexanamine

> <PUBCHEM_IUPAC_NAME>
N-(cyclohexylsulfamoyl)cyclohexanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(cyclohexylsulfamoyl)cyclohexanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclohexyl(cyclohexylsulfamoyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H24N2O2S/c15-17(16,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-14H,1-10H2

> <PUBCHEM_IUPAC_INCHIKEY>
TWRLCLQBOADOST-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
260.156

> <PUBCHEM_MOLECULAR_FORMULA>
C12H24N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
260.396

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NS(=O)(=O)NC2CCCCC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NS(=O)(=O)NC2CCCCC2

> <PUBCHEM_CACTVS_TPSA>
66.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.156

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$