N-(1-cyanocyclohexyl)cyclohexanesulfonamide

C13H22N2O2S — CID 61122476

IUPACN-(1-cyanocyclohexyl)cyclohexanesulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C13H22N2O2S/c14-11-13(9-5-2-6-10-13)15-18(16,17)12-7-3-1-4-8-12/h12,15H,1-10H2
InChIKeyUMOUICLNXPEDFH-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.46
Rot. Bonds3

About N-(1-cyanocyclohexyl)cyclohexanesulfonamide

N-(1-cyanocyclohexyl)cyclohexanesulfonamide (PubChem CID 61122476) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)cyclohexanesulfonamide
PubChem CID61122476
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(1-cyanocyclohexyl)cyclohexanesulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C13H22N2O2S/c14-11-13(9-5-2-6-10-13)15-18(16,17)12-7-3-1-4-8-12/h12,15H,1-10H2
InChIKeyUMOUICLNXPEDFH-UHFFFAOYSA-N
XLogP2.46
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Cyano-3-methylcyclohexyl)ethanesulfonamide
CID 86799164
N-(1-cyanocyclohexyl)methanesulfonamide
CID 60681350
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059396
1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide
CID 71057835
(1-Aminocyclohexyl)methanesulfonamide
CID 89233858
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)ethanesulfonamide
CID 55138338
N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide
CID 55138339
N-(1-cyanocyclohexyl)-3-methoxypropane-1-sulfonamide
CID 55170762
N-(1-cyanocyclohexyl)propane-2-sulfonamide
CID 61122084

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)cyclohexanesulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)cyclohexanesulfonamide (CID 61122476) is N-(1-cyanocyclohexyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)cyclohexanesulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)cyclohexanesulfonamide is N#CC1(NS(=O)(=O)C2CCCCC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)cyclohexanesulfonamide?
The InChIKey is UMOUICLNXPEDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c14-11-13(9-5-2-6-10-13)15-18(16,17)12-7-3-1-4-8-12/h12,15H,1-10H2.
What are the key properties of N-(1-cyanocyclohexyl)cyclohexanesulfonamide?
N-(1-cyanocyclohexyl)cyclohexanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)cyclohexanesulfonamide is sourced from PubChem (CID 61122476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).