1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one

C16H22OS — CID 65138899

IUPAC1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one
SMILESCc1cc(C)cc(CC(=O)CSC2CCCC2)c1
InChIInChI=1S/C16H22OS/c1-12-7-13(2)9-14(8-12)10-15(17)11-18-16-5-3-4-6-16/h7-9,16H,3-6,10-11H2,1-2H3
InChIKeyJWCIOVTURXWCEY-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.09
Rot. Bonds5

About 1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one

1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one (PubChem CID 65138899) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one
PubChem CID65138899
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one
SMILESCc1cc(C)cc(CC(=O)CSC2CCCC2)c1
InChIInChI=1S/C16H22OS/c1-12-7-13(2)9-14(8-12)10-15(17)11-18-16-5-3-4-6-16/h7-9,16H,3-6,10-11H2,1-2H3
InChIKeyJWCIOVTURXWCEY-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one 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-cyclopentylsulfanyl-3-(3-methylphenyl)propan-2-one
CID 65138848
1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
CID 105405282
2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone
CID 65138695
1-cyclopentylsulfanyl-3-phenylpropan-2-one
CID 63115475
1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one
CID 65139729
1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one
CID 65139678
1-(4-tert-butylphenyl)-3-cyclopentylsulfanylpropan-2-one
CID 65138954
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 103039382
1-(3,5-dimethylphenyl)-3-(thian-4-yl)propan-2-one
CID 105081386
2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 60643768

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one?
The IUPAC name of 1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one (CID 65138899) is 1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one is Cc1cc(C)cc(CC(=O)CSC2CCCC2)c1.
What is the InChIKey of 1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one?
The InChIKey is JWCIOVTURXWCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c1-12-7-13(2)9-14(8-12)10-15(17)11-18-16-5-3-4-6-16/h7-9,16H,3-6,10-11H2,1-2H3.
What are the key properties of 1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one?
1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one has a molecular weight of 262.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one is sourced from PubChem (CID 65138899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).