(2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide

C13H19N3O4S — CID 96510995

IUPAC(2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESO=C1CC[C@@H](CNS(=O)(=O)N2CCC[C@H]2c2ccco2)N1
InChIInChI=1S/C13H19N3O4S/c17-13-6-5-10(15-13)9-14-21(18,19)16-7-1-3-11(16)12-4-2-8-20-12/h2,4,8,10-11,14H,1,3,5-7,9H2,(H,15,17)/t10-,11-/m0/s1
InChIKeyHSJPSXLRBADZRG-QWRGUYRKSA-N
MW313.38 g/mol
LogP0.53
Rot. Bonds5

About (2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide

(2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 96510995) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID96510995
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name(2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESO=C1CC[C@@H](CNS(=O)(=O)N2CCC[C@H]2c2ccco2)N1
InChIInChI=1S/C13H19N3O4S/c17-13-6-5-10(15-13)9-14-21(18,19)16-7-1-3-11(16)12-4-2-8-20-12/h2,4,8,10-11,14H,1,3,5-7,9H2,(H,15,17)/t10-,11-/m0/s1
InChIKeyHSJPSXLRBADZRG-QWRGUYRKSA-N
XLogP0.53
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

2-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrrolidine-1-sulfonamide
CID 71929024
(2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 96510754
(2S)-2-(furan-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]pyrrolidine-1-sulfonamide
CID 124865779
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 97002013
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepan-5-one
CID 97012816
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 71872996
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 96510725
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine
CID 71929371
2-[(2S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 96510711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide (CID 96510995) is (2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide is O=C1CC[C@@H](CNS(=O)(=O)N2CCC[C@H]2c2ccco2)N1.
What is the InChIKey of (2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is HSJPSXLRBADZRG-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-13-6-5-10(15-13)9-14-21(18,19)16-7-1-3-11(16)12-4-2-8-20-12/h2,4,8,10-11,14H,1,3,5-7,9H2,(H,15,17)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
(2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 96510995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).