N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide

C14H24N2O2S — CID 61122482

IUPACN-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide
SMILESCC1CCC(C#N)(NS(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H24N2O2S/c1-12-7-9-14(11-15,10-8-12)16-19(17,18)13-5-3-2-4-6-13/h12-13,16H,2-10H2,1H3
InChIKeyYBQKTBSNHLIPKW-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.71
Rot. Bonds3

About N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide

N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide (PubChem CID 61122482) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide
PubChem CID61122482
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide
SMILESCC1CCC(C#N)(NS(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H24N2O2S/c1-12-7-9-14(11-15,10-8-12)16-19(17,18)13-5-3-2-4-6-13/h12-13,16H,2-10H2,1H3
InChIKeyYBQKTBSNHLIPKW-UHFFFAOYSA-N
XLogP2.71
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide 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-(1-Cyano-3-methylcyclohexyl)ethanesulfonamide
CID 86799164
N-(1-cyano-4-ethylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83048028
N-(1-cyano-4-methylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059551
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide
CID 153296109
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide
CID 158218703
4-amino-N-ethylsulfonylcyclohexane-1-carbonitrilium
CID 169825262
N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide
CID 54947838
N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide
CID 54947839
N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide
CID 54947888
N-(1-cyano-4-methylcyclohexyl)-2-methoxyethanesulfonamide
CID 55014535
N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide
CID 55014581
N-(1-cyano-4-methylcyclohexyl)ethanesulfonamide
CID 55138338

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide (CID 61122482) is N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide is CC1CCC(C#N)(NS(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide?
The InChIKey is YBQKTBSNHLIPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12-7-9-14(11-15,10-8-12)16-19(17,18)13-5-3-2-4-6-13/h12-13,16H,2-10H2,1H3.
What are the key properties of N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide?
N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide is sourced from PubChem (CID 61122482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).