1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile

C14H18N2O2S — CID 126549254

IUPAC1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile
SMILESCS(=O)(=O)c1ccc(NC2(C#N)CCCCC2)cc1
InChIInChI=1S/C14H18N2O2S/c1-19(17,18)13-7-5-12(6-8-13)16-14(11-15)9-3-2-4-10-14/h5-8,16H,2-4,9-10H2,1H3
InChIKeyUVSWSFQMKZZEOW-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile

1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile (PubChem CID 126549254) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile
PubChem CID126549254
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile
SMILESCS(=O)(=O)c1ccc(NC2(C#N)CCCCC2)cc1
InChIInChI=1S/C14H18N2O2S/c1-19(17,18)13-7-5-12(6-8-13)16-14(11-15)9-3-2-4-10-14/h5-8,16H,2-4,9-10H2,1H3
InChIKeyUVSWSFQMKZZEOW-UHFFFAOYSA-N
XLogP2.73
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile 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-cyanocyclopentyl)-4-methylsulfonylbenzamide
CID 60665986
N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline
CID 55243938
N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174585
[1-(4-methylsulfonylanilino)cyclopentyl]methanol
CID 55082586
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514652
1-(4-methylsulfonylphenyl)cyclobutane-1-carbonitrile
CID 66748522
4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide
CID 118398490
4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride
CID 118515414
4-(4-bromoanilino)-1,1-dioxothiane-4-carbonitrile
CID 54982820
3-(4-bromoanilino)-1,1-dioxothiane-3-carbonitrile
CID 63922864
3-(4-chloroanilino)-1,1-dioxothiane-3-carbonitrile
CID 63922863
6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide
CID 114613786

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile (CID 126549254) is 1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile is CS(=O)(=O)c1ccc(NC2(C#N)CCCCC2)cc1.
What is the InChIKey of 1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile?
The InChIKey is UVSWSFQMKZZEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-19(17,18)13-7-5-12(6-8-13)16-14(11-15)9-3-2-4-10-14/h5-8,16H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile?
1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile has a molecular weight of 278.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 126549254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).