5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide

C13H19N5O2S — CID 106054447

IUPAC5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCCCn2ccnc2)nc1
InChIInChI=1S/C13H19N5O2S/c14-9-12-3-4-13(16-10-12)21(19,20)17-5-1-2-7-18-8-6-15-11-18/h3-4,6,8,10-11,17H,1-2,5,7,9,14H2
InChIKeyBEQPJRAGXQFRAM-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.50
Rot. Bonds8

About 5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide

5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide (PubChem CID 106054447) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide
PubChem CID106054447
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCCCn2ccnc2)nc1
InChIInChI=1S/C13H19N5O2S/c14-9-12-3-4-13(16-10-12)21(19,20)17-5-1-2-7-18-8-6-15-11-18/h3-4,6,8,10-11,17H,1-2,5,7,9,14H2
InChIKeyBEQPJRAGXQFRAM-UHFFFAOYSA-N
XLogP0.50
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(4-imidazol-1-ylbutyl)thiophene-2-sulfonamide
CID 106054450
4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 43455140
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
2-(aminomethyl)-5-fluoro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 106029754
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079
N-(6-imidazol-1-ylhexyl)methanesulfonamide
CID 110441232
2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide
CID 140993558
3-imidazol-1-ylpropylurea
CID 22179621
5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
CID 82459797
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide (CID 106054447) is 5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide is NCc1ccc(S(=O)(=O)NCCCCn2ccnc2)nc1.
What is the InChIKey of 5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide?
The InChIKey is BEQPJRAGXQFRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c14-9-12-3-4-13(16-10-12)21(19,20)17-5-1-2-7-18-8-6-15-11-18/h3-4,6,8,10-11,17H,1-2,5,7,9,14H2.
What are the key properties of 5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide?
5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106054447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).