1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide

C16H22N2O2S — CID 103830233

IUPAC1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide
SMILESCCC1(CNS(=O)(=O)Cc2ccccc2C#N)CCCC1
InChIInChI=1S/C16H22N2O2S/c1-2-16(9-5-6-10-16)13-18-21(19,20)12-15-8-4-3-7-14(15)11-17/h3-4,7-8,18H,2,5-6,9-10,12-13H2,1H3
InChIKeyQSICCYHUCHAZQC-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.95
Rot. Bonds6

About 1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide

1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide (PubChem CID 103830233) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide
PubChem CID103830233
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide
SMILESCCC1(CNS(=O)(=O)Cc2ccccc2C#N)CCCC1
InChIInChI=1S/C16H22N2O2S/c1-2-16(9-5-6-10-16)13-18-21(19,20)12-15-8-4-3-7-14(15)11-17/h3-4,7-8,18H,2,5-6,9-10,12-13H2,1H3
InChIKeyQSICCYHUCHAZQC-UHFFFAOYSA-N
XLogP2.95
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide 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

1-[[(2-cyanophenyl)methylsulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445360
1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide
CID 126795757
1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide
CID 103830180
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide
CID 114264441
1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide
CID 102609515
methyl 2-[1-[(2-cyanophenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776668
1-(2-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115360457
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673
1-(2-cyanophenyl)-N-(1,1-dioxothian-3-yl)methanesulfonamide
CID 63922361
1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
CID 64912022
2-[(2-cyanophenyl)methylsulfonylamino]-2-ethylbutanoic acid
CID 79814363

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide (CID 103830233) is 1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide is CCC1(CNS(=O)(=O)Cc2ccccc2C#N)CCCC1.
What is the InChIKey of 1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide?
The InChIKey is QSICCYHUCHAZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-16(9-5-6-10-16)13-18-21(19,20)12-15-8-4-3-7-14(15)11-17/h3-4,7-8,18H,2,5-6,9-10,12-13H2,1H3.
What are the key properties of 1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide?
1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide is sourced from PubChem (CID 103830233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).