1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone

C15H20O2S — CID 113449628

IUPAC1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccccc1S(=O)CC(=O)C1CCCCC1
InChIInChI=1S/C15H20O2S/c1-12-7-5-6-10-15(12)18(17)11-14(16)13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3
InChIKeyWAEZMHSQVNEQIU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.25
Rot. Bonds4

About 1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone

1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone (PubChem CID 113449628) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
PubChem CID113449628
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccccc1S(=O)CC(=O)C1CCCCC1
InChIInChI=1S/C15H20O2S/c1-12-7-5-6-10-15(12)18(17)11-14(16)13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3
InChIKeyWAEZMHSQVNEQIU-UHFFFAOYSA-N
XLogP3.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone 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-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756299
1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone
CID 104756239
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637629
1-cyclopropyl-2-(2-fluorophenyl)sulfinylethanone
CID 64635571
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone
CID 104756236
1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone
CID 82932173
2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64638938
1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
CID 113449619
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
CID 66448021
1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene
CID 163864796
2-(benzenesulfinyl)-1-cyclopropylethanone
CID 64637996

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone?
The IUPAC name of 1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone (CID 113449628) is 1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone.
What is the SMILES notation for 1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone?
The canonical SMILES for 1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone is Cc1ccccc1S(=O)CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone?
The InChIKey is WAEZMHSQVNEQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-12-7-5-6-10-15(12)18(17)11-14(16)13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3.
What are the key properties of 1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone?
1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone has a molecular weight of 264.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone is sourced from PubChem (CID 113449628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).