2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone

C15H20OS — CID 60643768

IUPAC2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CSC2CCCC2)c(C)c1
InChIInChI=1S/C15H20OS/c1-11-7-8-14(12(2)9-11)15(16)10-17-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3
InChIKeySQKROLJFSNWNLS-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.16
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone

2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone (PubChem CID 60643768) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone
PubChem CID60643768
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CSC2CCCC2)c(C)c1
InChIInChI=1S/C15H20OS/c1-11-7-8-14(12(2)9-11)15(16)10-17-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3
InChIKeySQKROLJFSNWNLS-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone
CID 65140079
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one
CID 65139678
2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone
CID 65138695
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
CID 55178865
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 5116710
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanone
CID 60645510
2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 90643116
tert-butyl 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724047
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
1-cyclopentylsulfanyl-3-(3-methylphenyl)propan-2-one
CID 65138848

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone (CID 60643768) is 2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)CSC2CCCC2)c(C)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is SQKROLJFSNWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-11-7-8-14(12(2)9-11)15(16)10-17-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone?
2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 248.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 60643768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).