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

C10H14N2O3S2 — CID 95985059

IUPAC5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)s1
InChIInChI=1S/C10H14N2O3S2/c1-2-8-3-4-10(16-8)17(14,15)12-7-5-9(13)11-6-7/h3-4,7,12H,2,5-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyOEHMEINLEQFKRB-ZETCQYMHSA-N
MW274.37 g/mol
LogP0.48
Rot. Bonds4

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

5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 95985059) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID95985059
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)s1
InChIInChI=1S/C10H14N2O3S2/c1-2-8-3-4-10(16-8)17(14,15)12-7-5-9(13)11-6-7/h3-4,7,12H,2,5-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyOEHMEINLEQFKRB-ZETCQYMHSA-N
XLogP0.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 95985059) is 5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)s1.
What is the InChIKey of 5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is OEHMEINLEQFKRB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-2-8-3-4-10(16-8)17(14,15)12-7-5-9(13)11-6-7/h3-4,7,12H,2,5-6H2,1H3,(H,11,13)/t7-/m0/s1.
What are the key properties of 5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 274.37 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3S)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 95985059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).