N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

C15H16N2O3S2 — CID 95275479

IUPACN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=C1C[C@H](NS(=O)(=O)c2cccs2)CN1Cc1ccccc1
InChIInChI=1S/C15H16N2O3S2/c18-14-9-13(16-22(19,20)15-7-4-8-21-15)11-17(14)10-12-5-2-1-3-6-12/h1-8,13,16H,9-11H2/t13-/m0/s1
InChIKeyROAAXONPMKMGDG-ZDUSSCGKSA-N
MW336.44 g/mol
LogP1.83
Rot. Bonds5

About N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 95275479) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID95275479
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=C1C[C@H](NS(=O)(=O)c2cccs2)CN1Cc1ccccc1
InChIInChI=1S/C15H16N2O3S2/c18-14-9-13(16-22(19,20)15-7-4-8-21-15)11-17(14)10-12-5-2-1-3-6-12/h1-8,13,16H,9-11H2/t13-/m0/s1
InChIKeyROAAXONPMKMGDG-ZDUSSCGKSA-N
XLogP1.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 42595762
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 16919844
1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one
CID 154860377
N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]thiophene-2-sulfonamide
CID 11362765
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 7255810
N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 34247451
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 16920317
1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4782295
(3S)-1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7830959
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide
CID 11350637
N-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55479745
N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide
CID 59778201

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 95275479) is N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is O=C1C[C@H](NS(=O)(=O)c2cccs2)CN1Cc1ccccc1.
What is the InChIKey of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is ROAAXONPMKMGDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c18-14-9-13(16-22(19,20)15-7-4-8-21-15)11-17(14)10-12-5-2-1-3-6-12/h1-8,13,16H,9-11H2/t13-/m0/s1.
What are the key properties of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 95275479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).