N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide

C8H16N4O2S — CID 63730763

IUPACN-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
SMILESCCC(N)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C8H16N4O2S/c1-3-7(9)4-11-15(13,14)8-5-12(2)6-10-8/h5-7,11H,3-4,9H2,1-2H3
InChIKeyBEPOLQAIMLDHDS-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.56
Rot. Bonds5

About N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide

N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide (PubChem CID 63730763) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
PubChem CID63730763
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
SMILESCCC(N)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C8H16N4O2S/c1-3-7(9)4-11-15(13,14)8-5-12(2)6-10-8/h5-7,11H,3-4,9H2,1-2H3
InChIKeyBEPOLQAIMLDHDS-UHFFFAOYSA-N
XLogP-0.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-aminobutyl)-1-methylimidazole-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-(2-aminobutyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide (CID 63730763) is N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide is CCC(N)CNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is BEPOLQAIMLDHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-3-7(9)4-11-15(13,14)8-5-12(2)6-10-8/h5-7,11H,3-4,9H2,1-2H3.
What are the key properties of N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide?
N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63730763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).