2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile

C14H17NOS — CID 61296540

IUPAC2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile
SMILESCOc1ccccc1SC1CCCCC1C#N
InChIInChI=1S/C14H17NOS/c1-16-12-7-3-5-9-14(12)17-13-8-4-2-6-11(13)10-15/h3,5,7,9,11,13H,2,4,6,8H2,1H3
InChIKeyVFBLWVKYVWTEQQ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.87
Rot. Bonds3

About 2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile

2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile (PubChem CID 61296540) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile
PubChem CID61296540
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile
SMILESCOc1ccccc1SC1CCCCC1C#N
InChIInChI=1S/C14H17NOS/c1-16-12-7-3-5-9-14(12)17-13-8-4-2-6-11(13)10-15/h3,5,7,9,11,13H,2,4,6,8H2,1H3
InChIKeyVFBLWVKYVWTEQQ-UHFFFAOYSA-N
XLogP3.87
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxyphenyl)sulfanylcyclohexane-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

2-(2-methoxyphenyl)sulfanylcycloheptan-1-amine
CID 64628119
2-(2-methoxyphenyl)sulfanylcycloheptane-1-carboxylic acid
CID 63098270
[2-(2-methoxyphenyl)sulfanylcyclopentyl]methanamine
CID 61290925
2-(3-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile
CID 43293041
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81386978
2-(2,5-dimethylphenyl)sulfanylcyclohexane-1-carbonitrile
CID 43293186
2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile
CID 43292426
2-[(2-methylphenyl)methylsulfanyl]cycloheptane-1-carbonitrile
CID 62769994
2-thiophen-2-ylsulfanylcycloheptane-1-carbonitrile
CID 43293235
2-(2-chlorophenoxy)cyclohexane-1-carbonitrile
CID 43292272
2-(2-cyanocyclohexyl)oxy-3-methoxybenzoic acid
CID 117054033
3-(2-methoxyphenyl)sulfanylpyridazine-4-carbonitrile
CID 80514163

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile (CID 61296540) is 2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile is COc1ccccc1SC1CCCCC1C#N.
What is the InChIKey of 2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile?
The InChIKey is VFBLWVKYVWTEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-16-12-7-3-5-9-14(12)17-13-8-4-2-6-11(13)10-15/h3,5,7,9,11,13H,2,4,6,8H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile?
2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile has a molecular weight of 247.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile is sourced from PubChem (CID 61296540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).