2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone

C14H17ClOS — CID 103289117

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
SMILESO=C(CSCc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C14H17ClOS/c15-13-8-4-3-7-12(13)9-17-10-14(16)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyLFANAWFVDOTUJK-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.33
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone

2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone (PubChem CID 103289117) has the molecular formula C14H17ClOS and a molecular weight of 268.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
PubChem CID103289117
Molecular FormulaC14H17ClOS
Molecular Weight268.81 g/mol
Exact Mass268.07
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
SMILESO=C(CSCc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C14H17ClOS/c15-13-8-4-3-7-12(13)9-17-10-14(16)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyLFANAWFVDOTUJK-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone 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-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
1-chloro-2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]benzene
CID 103288075
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 126033785
2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
CID 103291146
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone
CID 103291169
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-cyclohexylurea
CID 100744275
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139677
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 2889769
[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
CID 4109174

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone (CID 103289117) is 2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone is O=C(CSCc1ccccc1Cl)C1CCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone?
The InChIKey is LFANAWFVDOTUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClOS/c15-13-8-4-3-7-12(13)9-17-10-14(16)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone?
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone has a molecular weight of 268.81 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone is sourced from PubChem (CID 103289117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).