N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide

C13H22N2O2S — CID 54947838

IUPACN-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide
SMILESN#CC1(NS(=O)(=O)CC2CCCCC2)CCCC1
InChIInChI=1S/C13H22N2O2S/c14-11-13(8-4-5-9-13)15-18(16,17)10-12-6-2-1-3-7-12/h12,15H,1-10H2
InChIKeyWUWPNXVRPGGLJU-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.32
Rot. Bonds4

About N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide

N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide (PubChem CID 54947838) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide
PubChem CID54947838
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide
SMILESN#CC1(NS(=O)(=O)CC2CCCCC2)CCCC1
InChIInChI=1S/C13H22N2O2S/c14-11-13(8-4-5-9-13)15-18(16,17)10-12-6-2-1-3-7-12/h12,15H,1-10H2
InChIKeyWUWPNXVRPGGLJU-UHFFFAOYSA-N
XLogP2.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide (CID 54947838) is N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide is N#CC1(NS(=O)(=O)CC2CCCCC2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is WUWPNXVRPGGLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c14-11-13(8-4-5-9-13)15-18(16,17)10-12-6-2-1-3-7-12/h12,15H,1-10H2.
What are the key properties of N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide?
N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 54947838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).