N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide

C10H20N4O2S — CID 15100236

IUPACN-(6-aminohexyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCCCN)c1
InChIInChI=1S/C10H20N4O2S/c1-14-8-10(12-9-14)17(15,16)13-7-5-3-2-4-6-11/h8-9,13H,2-7,11H2,1H3
InChIKeyMKLNBBWHQWKGDM-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.22
Rot. Bonds8

About N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide

N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide (PubChem CID 15100236) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-1-methylimidazole-4-sulfonamide
PubChem CID15100236
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(6-aminohexyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCCCN)c1
InChIInChI=1S/C10H20N4O2S/c1-14-8-10(12-9-14)17(15,16)13-7-5-3-2-4-6-11/h8-9,13H,2-7,11H2,1H3
InChIKeyMKLNBBWHQWKGDM-UHFFFAOYSA-N
XLogP0.22
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-aminohexyl)-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-(6-aminohexyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide (CID 15100236) is N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCCCCN)c1.
What is the InChIKey of N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is MKLNBBWHQWKGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-14-8-10(12-9-14)17(15,16)13-7-5-3-2-4-6-11/h8-9,13H,2-7,11H2,1H3.
What are the key properties of N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide?
N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 15100236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).