N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide

C13H17N3O2S — CID 93453364

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C13H17N3O2S/c14-9-10-5-1-4-8-13(10)19(17,18)16-12-7-3-2-6-11(12)15/h1,4-5,8,11-12,16H,2-3,6-7,15H2/t11-,12-/m1/s1
InChIKeyRKSSPBLUTSRHCS-VXGBXAGGSA-N
MW279.37 g/mol
LogP1.11
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide

N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide (PubChem CID 93453364) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide
PubChem CID93453364
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C13H17N3O2S/c14-9-10-5-1-4-8-13(10)19(17,18)16-12-7-3-2-6-11(12)15/h1,4-5,8,11-12,16H,2-3,6-7,15H2/t11-,12-/m1/s1
InChIKeyRKSSPBLUTSRHCS-VXGBXAGGSA-N
XLogP1.11
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
CID 103835706
2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
CID 93453368
2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 103864178
N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide
CID 95037971
N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704769
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042945
2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 3592960
2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 115753517
2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43215397

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide (CID 93453364) is N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide?
The InChIKey is RKSSPBLUTSRHCS-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-9-10-5-1-4-8-13(10)19(17,18)16-12-7-3-2-6-11(12)15/h1,4-5,8,11-12,16H,2-3,6-7,15H2/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide is sourced from PubChem (CID 93453364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).