2-(cyclopentylmethylsulfinyl)-1-phenylethanone

C14H18O2S — CID 64640784

IUPAC2-(cyclopentylmethylsulfinyl)-1-phenylethanone
SMILESO=C(CS(=O)CC1CCCC1)c1ccccc1
InChIInChI=1S/C14H18O2S/c15-14(13-8-2-1-3-9-13)11-17(16)10-12-6-4-5-7-12/h1-3,8-9,12H,4-7,10-11H2
InChIKeyORSOJHLPCADHGV-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.81
Rot. Bonds5

About 2-(cyclopentylmethylsulfinyl)-1-phenylethanone

2-(cyclopentylmethylsulfinyl)-1-phenylethanone (PubChem CID 64640784) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfinyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfinyl)-1-phenylethanone
PubChem CID64640784
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name2-(cyclopentylmethylsulfinyl)-1-phenylethanone
SMILESO=C(CS(=O)CC1CCCC1)c1ccccc1
InChIInChI=1S/C14H18O2S/c15-14(13-8-2-1-3-9-13)11-17(16)10-12-6-4-5-7-12/h1-3,8-9,12H,4-7,10-11H2
InChIKeyORSOJHLPCADHGV-UHFFFAOYSA-N
XLogP2.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(cyclopentylmethylsulfinyl)ethanone
CID 64640185
2-cyclopentylsulfinyl-1-phenylethanone
CID 64639576
2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone
CID 64639589
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
1-(4-bromophenyl)-4-(cyclopentylmethylsulfinyl)butan-1-one
CID 64641194
2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 64640785
4-(cyclohexylmethoxy)-1-phenylbutan-1-one
CID 62382636
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
CID 10921866
3-(azepan-4-yl)-1-phenylpropan-1-one
CID 142133654
1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone
CID 64639174
2-(3-oxo-3-phenylpropyl)cyclopentane-1,3-dione
CID 101408905

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfinyl)-1-phenylethanone?
The IUPAC name of 2-(cyclopentylmethylsulfinyl)-1-phenylethanone (CID 64640784) is 2-(cyclopentylmethylsulfinyl)-1-phenylethanone.
What is the SMILES notation for 2-(cyclopentylmethylsulfinyl)-1-phenylethanone?
The canonical SMILES for 2-(cyclopentylmethylsulfinyl)-1-phenylethanone is O=C(CS(=O)CC1CCCC1)c1ccccc1.
What is the InChIKey of 2-(cyclopentylmethylsulfinyl)-1-phenylethanone?
The InChIKey is ORSOJHLPCADHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c15-14(13-8-2-1-3-9-13)11-17(16)10-12-6-4-5-7-12/h1-3,8-9,12H,4-7,10-11H2.
What are the key properties of 2-(cyclopentylmethylsulfinyl)-1-phenylethanone?
2-(cyclopentylmethylsulfinyl)-1-phenylethanone has a molecular weight of 250.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfinyl)-1-phenylethanone is sourced from PubChem (CID 64640784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).