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

C10H14N2O3S2 — CID 125435632

IUPAC2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H]2CCNC2=O)c(C)s1
InChIInChI=1S/C10H14N2O3S2/c1-6-5-9(7(2)16-6)17(14,15)12-8-3-4-11-10(8)13/h5,8,12H,3-4H2,1-2H3,(H,11,13)/t8-/m0/s1
InChIKeyHXGDQTIWRLWGDT-QMMMGPOBSA-N
MW274.37 g/mol
LogP0.53
Rot. Bonds3

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

2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide (PubChem CID 125435632) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide
PubChem CID125435632
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H]2CCNC2=O)c(C)s1
InChIInChI=1S/C10H14N2O3S2/c1-6-5-9(7(2)16-6)17(14,15)12-8-3-4-11-10(8)13/h5,8,12H,3-4H2,1-2H3,(H,11,13)/t8-/m0/s1
InChIKeyHXGDQTIWRLWGDT-QMMMGPOBSA-N
XLogP0.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide (CID 125435632) is 2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N[C@H]2CCNC2=O)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide?
The InChIKey is HXGDQTIWRLWGDT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-6-5-9(7(2)16-6)17(14,15)12-8-3-4-11-10(8)13/h5,8,12H,3-4H2,1-2H3,(H,11,13)/t8-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide has a molecular weight of 274.37 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 125435632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).