N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide

C13H24N4O2S — CID 86801792

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C13H24N4O2S/c1-4-16-7-5-6-12(16)8-15-20(18,19)13-9-17(10-14-13)11(2)3/h9-12,15H,4-8H2,1-3H3
InChIKeyLGFQLUZOTAFPTO-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.23
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 86801792) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID86801792
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C13H24N4O2S/c1-4-16-7-5-6-12(16)8-15-20(18,19)13-9-17(10-14-13)11(2)3/h9-12,15H,4-8H2,1-3H3
InChIKeyLGFQLUZOTAFPTO-UHFFFAOYSA-N
XLogP1.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 86801792) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide is CCN1CCCC1CNS(=O)(=O)c1cn(C(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is LGFQLUZOTAFPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-16-7-5-6-12(16)8-15-20(18,19)13-9-17(10-14-13)11(2)3/h9-12,15H,4-8H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 86801792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).