(5-oxopyrrolidin-2-yl) benzenesulfinate

C10H11NO3S — CID 169434056

IUPAC(5-oxopyrrolidin-2-yl) benzenesulfinate
SMILESO=C1CCC(OS(=O)c2ccccc2)N1
InChIInChI=1S/C10H11NO3S/c12-9-6-7-10(11-9)14-15(13)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChIKeyODGMVZPHOBNCLW-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.96
Rot. Bonds3

About (5-oxopyrrolidin-2-yl) benzenesulfinate

(5-oxopyrrolidin-2-yl) benzenesulfinate (PubChem CID 169434056) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is (5-oxopyrrolidin-2-yl) benzenesulfinate.

Molecular Properties

Compound Name(5-oxopyrrolidin-2-yl) benzenesulfinate
PubChem CID169434056
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name(5-oxopyrrolidin-2-yl) benzenesulfinate
SMILESO=C1CCC(OS(=O)c2ccccc2)N1
InChIInChI=1S/C10H11NO3S/c12-9-6-7-10(11-9)14-15(13)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChIKeyODGMVZPHOBNCLW-UHFFFAOYSA-N
XLogP0.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenoxyazetidin-2-one
CID 14054149
(3-fluorocyclohexyl) benzenesulfinate
CID 68780735
ethane;5-methoxypyrrolidin-2-one
CID 145305312
(5R)-5-ethoxypyrrolidin-2-one
CID 7098910
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid
CID 174442978
(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339
(5R)-5-benzylpyrrolidin-2-one
CID 740530
5-(trifluoromethoxy)pyrrolidin-2-one
CID 123685049
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
ethane;methanamine;(5-oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfinate
CID 143447965
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126

Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-2-yl) benzenesulfinate?
The IUPAC name of (5-oxopyrrolidin-2-yl) benzenesulfinate (CID 169434056) is (5-oxopyrrolidin-2-yl) benzenesulfinate.
What is the SMILES notation for (5-oxopyrrolidin-2-yl) benzenesulfinate?
The canonical SMILES for (5-oxopyrrolidin-2-yl) benzenesulfinate is O=C1CCC(OS(=O)c2ccccc2)N1.
What is the InChIKey of (5-oxopyrrolidin-2-yl) benzenesulfinate?
The InChIKey is ODGMVZPHOBNCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9-6-7-10(11-9)14-15(13)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12).
What are the key properties of (5-oxopyrrolidin-2-yl) benzenesulfinate?
(5-oxopyrrolidin-2-yl) benzenesulfinate has a molecular weight of 225.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-2-yl) benzenesulfinate is sourced from PubChem (CID 169434056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).