2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone

C11H18O3S — CID 104756311

IUPAC2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone
SMILESO=C(CS(=O)C1CCCC1)C1CCOC1
InChIInChI=1S/C11H18O3S/c12-11(9-5-6-14-7-9)8-15(13)10-3-1-2-4-10/h9-10H,1-8H2
InChIKeyZQVWTZIQNAMNNU-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.28
Rot. Bonds4

About 2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone

2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone (PubChem CID 104756311) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone
PubChem CID104756311
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone
SMILESO=C(CS(=O)C1CCCC1)C1CCOC1
InChIInChI=1S/C11H18O3S/c12-11(9-5-6-14-7-9)8-15(13)10-3-1-2-4-10/h9-10H,1-8H2
InChIKeyZQVWTZIQNAMNNU-UHFFFAOYSA-N
XLogP1.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756299
4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one
CID 65330284
2-(azetidin-3-yl)-1-(oxolan-3-yl)ethanone
CID 116582222
cycloheptyl(oxolan-3-yl)methanone
CID 65399453
N-cyclohexyl-2-(oxan-4-ylsulfinyl)acetamide
CID 127659906
2-(2,5-dimethylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756231
2-[(2-methylphenyl)methylsulfinyl]-1-(oxolan-3-yl)ethanone
CID 104756209
1-cyclopentyl-2-(oxan-3-yl)ethanone
CID 107135385
2-[2-(hydroxymethyl)azepan-1-yl]-1-(oxolan-3-yl)ethanone
CID 116635401
1-(oxolan-3-yl)heptan-1-one
CID 65330226
4-methyl-1-(oxolan-3-yl)pentan-1-one
CID 63563225
1-(oxolan-3-yl)nonan-1-one
CID 65330227

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone (CID 104756311) is 2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone is O=C(CS(=O)C1CCCC1)C1CCOC1.
What is the InChIKey of 2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone?
The InChIKey is ZQVWTZIQNAMNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c12-11(9-5-6-14-7-9)8-15(13)10-3-1-2-4-10/h9-10H,1-8H2.
What are the key properties of 2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone?
2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone has a molecular weight of 230.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104756311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).