2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone

C12H16O3S — CID 64639589

IUPAC2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)CC1CCCC1)c1ccco1
InChIInChI=1S/C12H16O3S/c13-11(12-6-3-7-15-12)9-16(14)8-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2
InChIKeyFUYQNYRYKGUUDZ-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.40
Rot. Bonds5

About 2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone

2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone (PubChem CID 64639589) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone
PubChem CID64639589
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)CC1CCCC1)c1ccco1
InChIInChI=1S/C12H16O3S/c13-11(12-6-3-7-15-12)9-16(14)8-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2
InChIKeyFUYQNYRYKGUUDZ-UHFFFAOYSA-N
XLogP2.40
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylmethyl)-4-(furan-2-yl)-4-oxobutanoic acid
CID 19378608
1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764333
1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione
CID 43138918
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
N-cyclopentyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389813
1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94201565
2-[cyclopentyl(ethyl)amino]-1-(furan-2-yl)ethanone
CID 43796327
2-(3-aminocyclopentyl)-1-(furan-2-yl)ethanone
CID 130719938
1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64639348
1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
CID 55005039
2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
N-cyclopentyloxyfuran-2-carboxamide
CID 83201943

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone (CID 64639589) is 2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone is O=C(CS(=O)CC1CCCC1)c1ccco1.
What is the InChIKey of 2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone?
The InChIKey is FUYQNYRYKGUUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c13-11(12-6-3-7-15-12)9-16(14)8-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2.
What are the key properties of 2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone?
2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone has a molecular weight of 240.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 64639589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).