2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide

C13H19N3O4S — CID 71929024

IUPAC2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide
SMILESO=C1CCC(NS(=O)(=O)N2CCCC2c2ccco2)CN1
InChIInChI=1S/C13H19N3O4S/c17-13-6-5-10(9-14-13)15-21(18,19)16-7-1-3-11(16)12-4-2-8-20-12/h2,4,8,10-11,15H,1,3,5-7,9H2,(H,14,17)
InChIKeyXFSZJCBZJIQNNC-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.53
Rot. Bonds4

About 2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide

2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide (PubChem CID 71929024) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide
PubChem CID71929024
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide
SMILESO=C1CCC(NS(=O)(=O)N2CCCC2c2ccco2)CN1
InChIInChI=1S/C13H19N3O4S/c17-13-6-5-10(9-14-13)15-21(18,19)16-7-1-3-11(16)12-4-2-8-20-12/h2,4,8,10-11,15H,1,3,5-7,9H2,(H,14,17)
InChIKeyXFSZJCBZJIQNNC-UHFFFAOYSA-N
XLogP0.53
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 96510995
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepan-5-one
CID 97012816
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide
CID 55244528
2-[(2R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 97018175
2-[(2S)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 124733704
2-[(2S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 96510711
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide
CID 62491451
(2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine
CID 100850865
(5aS,8aR)-5-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine
CID 124729510

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide (CID 71929024) is 2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide is O=C1CCC(NS(=O)(=O)N2CCCC2c2ccco2)CN1.
What is the InChIKey of 2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide?
The InChIKey is XFSZJCBZJIQNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-13-6-5-10(9-14-13)15-21(18,19)16-7-1-3-11(16)12-4-2-8-20-12/h2,4,8,10-11,15H,1,3,5-7,9H2,(H,14,17).
What are the key properties of 2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide?
2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71929024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).