3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one

C14H18O2S — CID 64909608

IUPAC3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one
SMILESCc1ccc(S(=O)C2CCC(=O)C2C)c(C)c1
InChIInChI=1S/C14H18O2S/c1-9-4-6-13(10(2)8-9)17(16)14-7-5-12(15)11(14)3/h4,6,8,11,14H,5,7H2,1-3H3
InChIKeyIRPUJFZSAMJVOQ-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.78
Rot. Bonds2

About 3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one

3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one (PubChem CID 64909608) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one
PubChem CID64909608
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one
SMILESCc1ccc(S(=O)C2CCC(=O)C2C)c(C)c1
InChIInChI=1S/C14H18O2S/c1-9-4-6-13(10(2)8-9)17(16)14-7-5-12(15)11(14)3/h4,6,8,11,14H,5,7H2,1-3H3
InChIKeyIRPUJFZSAMJVOQ-UHFFFAOYSA-N
XLogP2.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-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-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one?
The IUPAC name of 3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one (CID 64909608) is 3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one is Cc1ccc(S(=O)C2CCC(=O)C2C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one?
The InChIKey is IRPUJFZSAMJVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-9-4-6-13(10(2)8-9)17(16)14-7-5-12(15)11(14)3/h4,6,8,11,14H,5,7H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one?
3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one has a molecular weight of 250.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one is sourced from PubChem (CID 64909608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).