1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone

C13H16O2S — CID 64637629

IUPAC1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)C2CC2)c(C)c1
InChIInChI=1S/C13H16O2S/c1-9-3-6-13(10(2)7-9)16(15)8-12(14)11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3
InChIKeyJAVHSDDMGVHDSP-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.39
Rot. Bonds4

About 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone

1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone (PubChem CID 64637629) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone
PubChem CID64637629
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)C2CC2)c(C)c1
InChIInChI=1S/C13H16O2S/c1-9-3-6-13(10(2)7-9)16(15)8-12(14)11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3
InChIKeyJAVHSDDMGVHDSP-UHFFFAOYSA-N
XLogP2.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-2-(2,4-dimethylphenyl)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

1-(2,4-dimethylphenyl)sulfinylpentan-2-one
CID 64637633
1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
CID 113449628
2-(2,5-dimethylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756231
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64637809
2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone
CID 64637459
1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637812
1-cyclopropyl-2-(2-fluorophenyl)sulfinylethanone
CID 64635571
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide
CID 97069827
2-(2-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756299
3-(2,4-dimethylphenyl)sulfinyl-1-phenylpropan-1-one
CID 116694903

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone?
The IUPAC name of 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone (CID 64637629) is 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone?
The canonical SMILES for 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone is Cc1ccc(S(=O)CC(=O)C2CC2)c(C)c1.
What is the InChIKey of 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone?
The InChIKey is JAVHSDDMGVHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c1-9-3-6-13(10(2)7-9)16(15)8-12(14)11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone?
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone has a molecular weight of 236.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone is sourced from PubChem (CID 64637629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).