2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one

C10H16O4S — CID 106497045

IUPAC2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one
SMILESO=C1CCCC1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H16O4S/c11-9-4-1-5-10(9)15(12,13)7-8-3-2-6-14-8/h8,10H,1-7H2
InChIKeyJBMCAKVHZLFPFY-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.70
Rot. Bonds3

About 2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one

2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one (PubChem CID 106497045) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one
PubChem CID106497045
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one
SMILESO=C1CCCC1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H16O4S/c11-9-4-1-5-10(9)15(12,13)7-8-3-2-6-14-8/h8,10H,1-7H2
InChIKeyJBMCAKVHZLFPFY-UHFFFAOYSA-N
XLogP0.70
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
CID 106495993
(2R)-2-ethyloxolane
CID 641529
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one
CID 65162914
2-(3-methylbutylsulfonyl)cyclopentan-1-one
CID 107767951
2-(oxan-2-ylmethylsulfonyl)ethanol
CID 71857024
1-[2-(oxolan-2-ylmethylsulfonyl)acetyl]piperidin-4-one
CID 113356585
azane;2-ethyloxolane
CID 174465001
(1S)-2-oxocyclohexane-1-sulfonamide
CID 93494017
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
2-[(4-bromophenyl)sulfonylmethyl]oxolane
CID 15474559

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one?
The IUPAC name of 2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one (CID 106497045) is 2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one is O=C1CCCC1S(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one?
The InChIKey is JBMCAKVHZLFPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c11-9-4-1-5-10(9)15(12,13)7-8-3-2-6-14-8/h8,10H,1-7H2.
What are the key properties of 2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one?
2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one has a molecular weight of 232.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one is sourced from PubChem (CID 106497045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).