3-cyclohexylsulfinylcyclohexan-1-one

C12H20O2S — CID 64722827

IUPAC3-cyclohexylsulfinylcyclohexan-1-one
SMILESO=C1CCCC(S(=O)C2CCCCC2)C1
InChIInChI=1S/C12H20O2S/c13-10-5-4-8-12(9-10)15(14)11-6-2-1-3-7-11/h11-12H,1-9H2
InChIKeyJJIDJLIJLFXUIE-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.58
Rot. Bonds2

About 3-cyclohexylsulfinylcyclohexan-1-one

3-cyclohexylsulfinylcyclohexan-1-one (PubChem CID 64722827) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-cyclohexylsulfinylcyclohexan-1-one.

Molecular Properties

Compound Name3-cyclohexylsulfinylcyclohexan-1-one
PubChem CID64722827
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name3-cyclohexylsulfinylcyclohexan-1-one
SMILESO=C1CCCC(S(=O)C2CCCCC2)C1
InChIInChI=1S/C12H20O2S/c13-10-5-4-8-12(9-10)15(14)11-6-2-1-3-7-11/h11-12H,1-9H2
InChIKeyJJIDJLIJLFXUIE-UHFFFAOYSA-N
XLogP2.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexylsulfinylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfinylcyclohexan-1-one?
The IUPAC name of 3-cyclohexylsulfinylcyclohexan-1-one (CID 64722827) is 3-cyclohexylsulfinylcyclohexan-1-one.
What is the SMILES notation for 3-cyclohexylsulfinylcyclohexan-1-one?
The canonical SMILES for 3-cyclohexylsulfinylcyclohexan-1-one is O=C1CCCC(S(=O)C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexylsulfinylcyclohexan-1-one?
The InChIKey is JJIDJLIJLFXUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c13-10-5-4-8-12(9-10)15(14)11-6-2-1-3-7-11/h11-12H,1-9H2.
What are the key properties of 3-cyclohexylsulfinylcyclohexan-1-one?
3-cyclohexylsulfinylcyclohexan-1-one has a molecular weight of 228.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfinylcyclohexan-1-one is sourced from PubChem (CID 64722827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).