N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide

C14H19N3O2S — CID 97056156

IUPACN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CN)cc1
InChIInChI=1S/C14H19N3O2S/c15-9-11-5-7-13(8-6-11)20(18,19)17-14-4-2-1-3-12(14)10-16/h5-8,12,14,17H,1-4,10,16H2/t12-,14-/m0/s1
InChIKeySNOISXPAVHYUOW-JSGCOSHPSA-N
MW293.39 g/mol
LogP1.35
Rot. Bonds4

About N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide

N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide (PubChem CID 97056156) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
PubChem CID97056156
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CN)cc1
InChIInChI=1S/C14H19N3O2S/c15-9-11-5-7-13(8-6-11)20(18,19)17-14-4-2-1-3-12(14)10-16/h5-8,12,14,17H,1-4,10,16H2/t12-,14-/m0/s1
InChIKeySNOISXPAVHYUOW-JSGCOSHPSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
CID 80662442
N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119985851
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711162
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzenesulfonamide
CID 119986443
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
N-[2-(aminomethyl)cyclohexyl]-3-bromo-4-nitrobenzenesulfonamide
CID 119986021
1-N-[2-(aminomethyl)cyclohexyl]-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 119986083
4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
CID 119986423

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide (CID 97056156) is N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CN)cc1.
What is the InChIKey of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide?
The InChIKey is SNOISXPAVHYUOW-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-9-11-5-7-13(8-6-11)20(18,19)17-14-4-2-1-3-12(14)10-16/h5-8,12,14,17H,1-4,10,16H2/t12-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide?
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide is sourced from PubChem (CID 97056156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).