3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide

C15H20N4O4S — CID 125119424

IUPAC3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
SMILESN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1
InChIInChI=1S/C15H20N4O4S/c16-11-4-5-18(9-11)15(21)10-6-14(20)19(8-10)12-2-1-3-13(7-12)24(17,22)23/h1-3,7,10-11H,4-6,8-9,16H2,(H2,17,22,23)/t10-,11+/m0/s1
InChIKeyJECNJZNFIGIKNB-WDEREUQCSA-N
MW352.42 g/mol
LogP-0.75
Rot. Bonds3

About 3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide

3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide (PubChem CID 125119424) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
PubChem CID125119424
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
SMILESN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1
InChIInChI=1S/C15H20N4O4S/c16-11-4-5-18(9-11)15(21)10-6-14(20)19(8-10)12-2-1-3-13(7-12)24(17,22)23/h1-3,7,10-11H,4-6,8-9,16H2,(H2,17,22,23)/t10-,11+/m0/s1
InChIKeyJECNJZNFIGIKNB-WDEREUQCSA-N
XLogP-0.75
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 119409588
3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
CID 119377534
3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
CID 119576619
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 119410414
3-[(4R)-4-[(2S)-2-methylpiperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 125118581
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119413570
(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124698691
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119412742
3-(4-amino-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168701174
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
5-oxo-N-(2-piperazin-1-ylethyl)-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 119445191
2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119249569

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide (CID 125119424) is 3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide is N[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1.
What is the InChIKey of 3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is JECNJZNFIGIKNB-WDEREUQCSA-N. The full InChI is InChI=1S/C15H20N4O4S/c16-11-4-5-18(9-11)15(21)10-6-14(20)19(8-10)12-2-1-3-13(7-12)24(17,22)23/h1-3,7,10-11H,4-6,8-9,16H2,(H2,17,22,23)/t10-,11+/m0/s1.
What are the key properties of 3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 352.42 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 125119424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).