2-cyclopentylsulfinyl-1-phenylethanone

C13H16O2S — CID 64639576

IUPAC2-cyclopentylsulfinyl-1-phenylethanone
SMILESO=C(CS(=O)C1CCCC1)c1ccccc1
InChIInChI=1S/C13H16O2S/c14-13(11-6-2-1-3-7-11)10-16(15)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2
InChIKeyAOWZIWGFDQLFBL-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.56
Rot. Bonds4

About 2-cyclopentylsulfinyl-1-phenylethanone

2-cyclopentylsulfinyl-1-phenylethanone (PubChem CID 64639576) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-1-phenylethanone.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-1-phenylethanone
PubChem CID64639576
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name2-cyclopentylsulfinyl-1-phenylethanone
SMILESO=C(CS(=O)C1CCCC1)c1ccccc1
InChIInChI=1S/C13H16O2S/c14-13(11-6-2-1-3-7-11)10-16(15)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2
InChIKeyAOWZIWGFDQLFBL-UHFFFAOYSA-N
XLogP2.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone
CID 64639174
2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639953
1-(3-bromophenyl)-2-cyclopentylsulfinylethanone
CID 64639173
1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
CID 64640953
1-(3-bromophenyl)-2-cyclohexylsulfinylethanone
CID 64639949
2-(cyclopentylmethylsulfinyl)-1-phenylethanone
CID 64640784
2-cyclopentylsulfinyl-1-(2-fluorophenyl)ethanone
CID 64639778
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide
CID 63115483
2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
CID 10921866
(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 712460
2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 2751330

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-1-phenylethanone?
The IUPAC name of 2-cyclopentylsulfinyl-1-phenylethanone (CID 64639576) is 2-cyclopentylsulfinyl-1-phenylethanone.
What is the SMILES notation for 2-cyclopentylsulfinyl-1-phenylethanone?
The canonical SMILES for 2-cyclopentylsulfinyl-1-phenylethanone is O=C(CS(=O)C1CCCC1)c1ccccc1.
What is the InChIKey of 2-cyclopentylsulfinyl-1-phenylethanone?
The InChIKey is AOWZIWGFDQLFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c14-13(11-6-2-1-3-7-11)10-16(15)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2.
What are the key properties of 2-cyclopentylsulfinyl-1-phenylethanone?
2-cyclopentylsulfinyl-1-phenylethanone has a molecular weight of 236.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-1-phenylethanone is sourced from PubChem (CID 64639576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).