N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide

C14H19N3O2S — CID 43598192

IUPACN-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC2(N)CCCCC2)c1
InChIInChI=1S/C14H19N3O2S/c15-10-12-5-4-6-13(9-12)20(18,19)17-11-14(16)7-2-1-3-8-14/h4-6,9,17H,1-3,7-8,11,16H2
InChIKeyKQKSEQQSLOOKLQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.50
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide

N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide (PubChem CID 43598192) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide
PubChem CID43598192
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC2(N)CCCCC2)c1
InChIInChI=1S/C14H19N3O2S/c15-10-12-5-4-6-13(9-12)20(18,19)17-11-14(16)7-2-1-3-8-14/h4-6,9,17H,1-3,7-8,11,16H2
InChIKeyKQKSEQQSLOOKLQ-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-3-cyanobenzenesulfonamide
CID 113411802
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide
CID 113411790
N-[(1-aminocyclohexyl)methyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119958904
N-[(1-aminocyclohexyl)methyl]-2-chloro-5-cyanobenzenesulfonamide
CID 80697074
N-[(1-aminocycloheptyl)methyl]-4-cyano-2-methylbenzenesulfonamide
CID 119998644
N-(1-adamantylmethyl)-3-cyanobenzenesulfonamide
CID 7509882
3-cyano-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114749959
N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide
CID 120998690
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide (CID 43598192) is N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCC2(N)CCCCC2)c1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide?
The InChIKey is KQKSEQQSLOOKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-10-12-5-4-6-13(9-12)20(18,19)17-11-14(16)7-2-1-3-8-14/h4-6,9,17H,1-3,7-8,11,16H2.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide?
N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide is sourced from PubChem (CID 43598192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).