2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one

C12H13ClOS — CID 103289096

IUPAC2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one
SMILESO=C1CCCC1SCc1ccccc1Cl
InChIInChI=1S/C12H13ClOS/c13-10-5-2-1-4-9(10)8-15-12-7-3-6-11(12)14/h1-2,4-5,12H,3,6-8H2
InChIKeyZXPAMIUOKKQDPC-UHFFFAOYSA-N
MW240.75 g/mol
LogP3.69
Rot. Bonds3

About 2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one

2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one (PubChem CID 103289096) has the molecular formula C12H13ClOS and a molecular weight of 240.75 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one
PubChem CID103289096
Molecular FormulaC12H13ClOS
Molecular Weight240.75 g/mol
Exact Mass240.04
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one
SMILESO=C1CCCC1SCc1ccccc1Cl
InChIInChI=1S/C12H13ClOS/c13-10-5-2-1-4-9(10)8-15-12-7-3-6-11(12)14/h1-2,4-5,12H,3,6-8H2
InChIKeyZXPAMIUOKKQDPC-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.75
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-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 2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one (CID 103289096) is 2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one is O=C1CCCC1SCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one?
The InChIKey is ZXPAMIUOKKQDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClOS/c13-10-5-2-1-4-9(10)8-15-12-7-3-6-11(12)14/h1-2,4-5,12H,3,6-8H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one?
2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one has a molecular weight of 240.75 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one is sourced from PubChem (CID 103289096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).