5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide

C9H10N2O4S2 — CID 74892369

IUPAC5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)s1
InChIInChI=1S/C9H10N2O4S2/c10-17(14,15)9-4-1-6(16-9)5-11-7(12)2-3-8(11)13/h1,4H,2-3,5H2,(H2,10,14,15)
InChIKeyZZTHOMVMPIRNLH-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.04
Rot. Bonds3

About 5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide

5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide (PubChem CID 74892369) has the molecular formula C9H10N2O4S2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide
PubChem CID74892369
Molecular FormulaC9H10N2O4S2
Molecular Weight274.32 g/mol
Exact Mass274.01
IUPAC Name5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)s1
InChIInChI=1S/C9H10N2O4S2/c10-17(14,15)9-4-1-6(16-9)5-11-7(12)2-3-8(11)13/h1,4H,2-3,5H2,(H2,10,14,15)
InChIKeyZZTHOMVMPIRNLH-UHFFFAOYSA-N
XLogP0.04
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide (CID 74892369) is 5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)s1.
What is the InChIKey of 5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is ZZTHOMVMPIRNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S2/c10-17(14,15)9-4-1-6(16-9)5-11-7(12)2-3-8(11)13/h1,4H,2-3,5H2,(H2,10,14,15).
What are the key properties of 5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide?
5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 74892369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).