3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide

C11H18N4O3S — CID 15100248

IUPAC3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide
SMILESCn1cncc1S(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C11H18N4O3S/c1-14-9-12-8-11(14)19(17,18)13-5-3-7-15-6-2-4-10(15)16/h8-9,13H,2-7H2,1H3
InChIKeyUEFDJSUMDRQGCR-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.29
Rot. Bonds6

About 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide

3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide (PubChem CID 15100248) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide
PubChem CID15100248
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide
SMILESCn1cncc1S(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C11H18N4O3S/c1-14-9-12-8-11(14)19(17,18)13-5-3-7-15-6-2-4-10(15)16/h8-9,13H,2-7H2,1H3
InChIKeyUEFDJSUMDRQGCR-UHFFFAOYSA-N
XLogP-0.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide (CID 15100248) is 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide is Cn1cncc1S(=O)(=O)NCCCN1CCCC1=O.
What is the InChIKey of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide?
The InChIKey is UEFDJSUMDRQGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-14-9-12-8-11(14)19(17,18)13-5-3-7-15-6-2-4-10(15)16/h8-9,13H,2-7H2,1H3.
What are the key properties of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide?
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide has a molecular weight of 286.36 g/mol, XLogP of -0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide is sourced from PubChem (CID 15100248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).