1-cyclohexyl-2-methylsulfinylethanone

C9H16O2S — CID 557856

IUPAC1-cyclohexyl-2-methylsulfinylethanone
SMILESCS(=O)CC(=O)C1CCCCC1
InChIInChI=1S/C9H16O2S/c1-12(11)7-9(10)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyHVJAJUBSSDLIKN-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.51
Rot. Bonds3

About 1-cyclohexyl-2-methylsulfinylethanone

1-cyclohexyl-2-methylsulfinylethanone (PubChem CID 557856) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-cyclohexyl-2-methylsulfinylethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-methylsulfinylethanone
PubChem CID557856
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name1-cyclohexyl-2-methylsulfinylethanone
SMILESCS(=O)CC(=O)C1CCCCC1
InChIInChI=1S/C9H16O2S/c1-12(11)7-9(10)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyHVJAJUBSSDLIKN-UHFFFAOYSA-N
XLogP1.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-2-methylsulfinylethanone 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 1-cyclohexyl-2-methylsulfinylethanone?
The IUPAC name of 1-cyclohexyl-2-methylsulfinylethanone (CID 557856) is 1-cyclohexyl-2-methylsulfinylethanone.
What is the SMILES notation for 1-cyclohexyl-2-methylsulfinylethanone?
The canonical SMILES for 1-cyclohexyl-2-methylsulfinylethanone is CS(=O)CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methylsulfinylethanone?
The InChIKey is HVJAJUBSSDLIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-12(11)7-9(10)8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 1-cyclohexyl-2-methylsulfinylethanone?
1-cyclohexyl-2-methylsulfinylethanone has a molecular weight of 188.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methylsulfinylethanone is sourced from PubChem (CID 557856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).