1-cyclopentylsulfanyl-3-phenylpropan-2-one

C14H18OS — CID 63115475

IUPAC1-cyclopentylsulfanyl-3-phenylpropan-2-one
SMILESO=C(CSC1CCCC1)Cc1ccccc1
InChIInChI=1S/C14H18OS/c15-13(10-12-6-2-1-3-7-12)11-16-14-8-4-5-9-14/h1-3,6-7,14H,4-5,8-11H2
InChIKeyUEYMSYXUJJJTHJ-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.47
Rot. Bonds5

About 1-cyclopentylsulfanyl-3-phenylpropan-2-one

1-cyclopentylsulfanyl-3-phenylpropan-2-one (PubChem CID 63115475) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3-phenylpropan-2-one
PubChem CID63115475
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-cyclopentylsulfanyl-3-phenylpropan-2-one
SMILESO=C(CSC1CCCC1)Cc1ccccc1
InChIInChI=1S/C14H18OS/c15-13(10-12-6-2-1-3-7-12)11-16-14-8-4-5-9-14/h1-3,6-7,14H,4-5,8-11H2
InChIKeyUEYMSYXUJJJTHJ-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylsulfanyl-4-phenylbutan-2-one
CID 65139379
1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one
CID 65139729
1-cyclopentylsulfanyl-3-(3-methylphenyl)propan-2-one
CID 65138848
1-(4-tert-butylphenyl)-3-cyclopentylsulfanylpropan-2-one
CID 65138954
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139677
1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one
CID 65138899
1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
CID 105405282
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 103039382
2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3-phenylpropan-2-one?
The IUPAC name of 1-cyclopentylsulfanyl-3-phenylpropan-2-one (CID 63115475) is 1-cyclopentylsulfanyl-3-phenylpropan-2-one.
What is the SMILES notation for 1-cyclopentylsulfanyl-3-phenylpropan-2-one?
The canonical SMILES for 1-cyclopentylsulfanyl-3-phenylpropan-2-one is O=C(CSC1CCCC1)Cc1ccccc1.
What is the InChIKey of 1-cyclopentylsulfanyl-3-phenylpropan-2-one?
The InChIKey is UEYMSYXUJJJTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c15-13(10-12-6-2-1-3-7-12)11-16-14-8-4-5-9-14/h1-3,6-7,14H,4-5,8-11H2.
What are the key properties of 1-cyclopentylsulfanyl-3-phenylpropan-2-one?
1-cyclopentylsulfanyl-3-phenylpropan-2-one has a molecular weight of 234.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3-phenylpropan-2-one is sourced from PubChem (CID 63115475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).