N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide

C14H19N3O2S — CID 93453368

IUPACN-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C14H19N3O2S/c15-9-11-5-1-2-6-12(11)10-20(18,19)17-14-8-4-3-7-13(14)16/h1-2,5-6,13-14,17H,3-4,7-8,10,16H2/t13-,14-/m1/s1
InChIKeyFOAKWPRTWYDKHA-ZIAGYGMSSA-N
MW293.39 g/mol
LogP1.25
Rot. Bonds4

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

N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide (PubChem CID 93453368) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
PubChem CID93453368
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C14H19N3O2S/c15-9-11-5-1-2-6-12(11)10-20(18,19)17-14-8-4-3-7-13(14)16/h1-2,5-6,13-14,17H,3-4,7-8,10,16H2/t13-,14-/m1/s1
InChIKeyFOAKWPRTWYDKHA-ZIAGYGMSSA-N
XLogP1.25
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(4'-Cyano-[1,1'-biphenyl]-4-yl)propyl)propane-2-sulfonamide
CID 9928016
(R,R) Propane-2-sulfonic acid [2-(4-cyano-phenyl)-cyclopentyl]-amide
CID 11833226
N-[2-(4''-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
CID 18713992
1-(2-cyanophenyl)-N-isopropylmethanesulfonamide
CID 9118377
N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide
CID 11833227
1-(2-cyanophenyl)-N-methylmethanesulfonamide
CID 9106555
N-[(2r)-2-(4'-Cyanobiphenyl-4-Yl)propyl]propane-2-Sulfonamide
CID 66857735
N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide
CID 75431138
N-cyclohexyl-2-phenylethene-1-sulfonamide
CID 2458987
N-(4-phenylbutan-2-yl)ethanesulfonamide
CID 2933126
N-cyclohexyl-1-phenylmethanesulfonamide
CID 272772
1-(4-cyanophenyl)-N-isopropylmethanesulfonamide
CID 9167352

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide (CID 93453368) is N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide?
The InChIKey is FOAKWPRTWYDKHA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-9-11-5-1-2-6-12(11)10-20(18,19)17-14-8-4-3-7-13(14)16/h1-2,5-6,13-14,17H,3-4,7-8,10,16H2/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide?
N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.25, 4 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]-1-(2-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 93453368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).