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

C15H26N2O2S — CID 61125083

IUPACN-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H26N2O2S/c1-2-13-8-10-15(12-16,11-9-13)17-20(18,19)14-6-4-3-5-7-14/h13-14,17H,2-11H2,1H3
InChIKeyIBSSQXYRFPXHCK-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.10
Rot. Bonds4

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

N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide (PubChem CID 61125083) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide
PubChem CID61125083
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H26N2O2S/c1-2-13-8-10-15(12-16,11-9-13)17-20(18,19)14-6-4-3-5-7-14/h13-14,17H,2-11H2,1H3
InChIKeyIBSSQXYRFPXHCK-UHFFFAOYSA-N
XLogP3.10
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyano-4-ethylcyclohexyl)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-cyanocycloheptyl)cyclopentanesulfonamide
CID 105361084
N-(1-cyanocyclohexyl)cyclopropanesulfonamide
CID 64552206
1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
CID 61124092
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate
CID 114463344
N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide
CID 61121906
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide
CID 105361944
1-(cyclopropylsulfonylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 64552398
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide (CID 61125083) is N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide is CCC1CCC(C#N)(NS(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide?
The InChIKey is IBSSQXYRFPXHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-2-13-8-10-15(12-16,11-9-13)17-20(18,19)14-6-4-3-5-7-14/h13-14,17H,2-11H2,1H3.
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide?
N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide is sourced from PubChem (CID 61125083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).