2-(cyclopentylmethylsulfanyl)cyclohexan-1-one

C12H20OS — CID 18328526

IUPAC2-(cyclopentylmethylsulfanyl)cyclohexan-1-one
SMILESO=C1CCCCC1SCC1CCCC1
InChIInChI=1S/C12H20OS/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h10,12H,1-9H2
InChIKeyIYOZUNRRYHONNY-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.42
Rot. Bonds3

About 2-(cyclopentylmethylsulfanyl)cyclohexan-1-one

2-(cyclopentylmethylsulfanyl)cyclohexan-1-one (PubChem CID 18328526) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)cyclohexan-1-one
PubChem CID18328526
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-(cyclopentylmethylsulfanyl)cyclohexan-1-one
SMILESO=C1CCCCC1SCC1CCCC1
InChIInChI=1S/C12H20OS/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h10,12H,1-9H2
InChIKeyIYOZUNRRYHONNY-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopentylmethylsulfanyl)cyclohexan-1-one 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-methylpropylsulfanyl)cyclopentan-1-one
CID 43412809
3-(azetidin-3-ylmethylsulfanyl)azepan-2-one
CID 66288240
(2R)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one
CID 39022868
O-ethyl (2-oxocyclohexyl)sulfanylmethanethioate
CID 10798885
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one
CID 103289096
3-(iodomethyl)cycloheptan-1-one
CID 12564069
2-(2,5-dimethylphenyl)sulfanylcycloheptan-1-one
CID 55560358
tris(cyclohexylmethyl-(2-oxocyclohexyl)sulfanium);trifluoride
CID 159306995
2-(4,6-diphenylpyrimidin-2-yl)sulfanylcyclohexan-1-one
CID 171980879
(2S)-2-(trifluoromethyl)cyclohexan-1-one
CID 7021848
6-ethylcyclodecan-1-one
CID 18176981

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)cyclohexan-1-one?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)cyclohexan-1-one (CID 18328526) is 2-(cyclopentylmethylsulfanyl)cyclohexan-1-one.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)cyclohexan-1-one?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)cyclohexan-1-one is O=C1CCCCC1SCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)cyclohexan-1-one?
The InChIKey is IYOZUNRRYHONNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h10,12H,1-9H2.
What are the key properties of 2-(cyclopentylmethylsulfanyl)cyclohexan-1-one?
2-(cyclopentylmethylsulfanyl)cyclohexan-1-one has a molecular weight of 212.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)cyclohexan-1-one is sourced from PubChem (CID 18328526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).