1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one

C17H24OS — CID 65139009

IUPAC1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCC(C)c1ccc(CC(=O)CSC2CCCC2)cc1
InChIInChI=1S/C17H24OS/c1-13(2)15-9-7-14(8-10-15)11-16(18)12-19-17-5-3-4-6-17/h7-10,13,17H,3-6,11-12H2,1-2H3
InChIKeyADJQCNTXGXXXEB-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.60
Rot. Bonds6

About 1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one

1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one (PubChem CID 65139009) has the molecular formula C17H24OS and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
PubChem CID65139009
Molecular FormulaC17H24OS
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCC(C)c1ccc(CC(=O)CSC2CCCC2)cc1
InChIInChI=1S/C17H24OS/c1-13(2)15-9-7-14(8-10-15)11-16(18)12-19-17-5-3-4-6-17/h7-10,13,17H,3-6,11-12H2,1-2H3
InChIKeyADJQCNTXGXXXEB-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one
CID 65139729
1-(4-tert-butylphenyl)-3-cyclopentylsulfanylpropan-2-one
CID 65138954
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
1-cyclopentylsulfanyl-3-(3-methylphenyl)propan-2-one
CID 65138848
1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 103039382
1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
CID 105405282
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone
CID 116579990
1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
CID 116547889
4-(4-cyclopentyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylphenyl)butan-2-one
CID 161045419
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139677
1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 65138833

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one?
The IUPAC name of 1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one (CID 65139009) is 1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one is CC(C)c1ccc(CC(=O)CSC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one?
The InChIKey is ADJQCNTXGXXXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OS/c1-13(2)15-9-7-14(8-10-15)11-16(18)12-19-17-5-3-4-6-17/h7-10,13,17H,3-6,11-12H2,1-2H3.
What are the key properties of 1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one?
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one has a molecular weight of 276.45 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one is sourced from PubChem (CID 65139009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).