N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide

C11H16N4O2S — CID 106338404

IUPACN-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1cnc2cc(N)ccc21
InChIInChI=1S/C11H16N4O2S/c1-18(16,17)14-5-2-6-15-8-13-10-7-9(12)3-4-11(10)15/h3-4,7-8,14H,2,5-6,12H2,1H3
InChIKeyPRFHJMUYMRHTBM-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.56
Rot. Bonds5

About N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide

N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide (PubChem CID 106338404) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide
PubChem CID106338404
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1cnc2cc(N)ccc21
InChIInChI=1S/C11H16N4O2S/c1-18(16,17)14-5-2-6-15-8-13-10-7-9(12)3-4-11(10)15/h3-4,7-8,14H,2,5-6,12H2,1H3
InChIKeyPRFHJMUYMRHTBM-UHFFFAOYSA-N
XLogP0.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide 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-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide (CID 106338404) is N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCn1cnc2cc(N)ccc21.
What is the InChIKey of N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide?
The InChIKey is PRFHJMUYMRHTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-18(16,17)14-5-2-6-15-8-13-10-7-9(12)3-4-11(10)15/h3-4,7-8,14H,2,5-6,12H2,1H3.
What are the key properties of N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide?
N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide has a molecular weight of 268.34 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-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 106338404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).