N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide

C14H22N4O2S — CID 64583151

IUPACN-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCNc1nc2ccccn2c1S(=O)(=O)NCC(C)C(C)C
InChIInChI=1S/C14H22N4O2S/c1-10(2)11(3)9-16-21(19,20)14-13(15-4)17-12-7-5-6-8-18(12)14/h5-8,10-11,15-16H,9H2,1-4H3
InChIKeyOJMKXTJXRWYNPT-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.95
Rot. Bonds6

About N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide

N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 64583151) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID64583151
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCNc1nc2ccccn2c1S(=O)(=O)NCC(C)C(C)C
InChIInChI=1S/C14H22N4O2S/c1-10(2)11(3)9-16-21(19,20)14-13(15-4)17-12-7-5-6-8-18(12)14/h5-8,10-11,15-16H,9H2,1-4H3
InChIKeyOJMKXTJXRWYNPT-UHFFFAOYSA-N
XLogP1.95
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide (CID 64583151) is N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide is CNc1nc2ccccn2c1S(=O)(=O)NCC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is OJMKXTJXRWYNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10(2)11(3)9-16-21(19,20)14-13(15-4)17-12-7-5-6-8-18(12)14/h5-8,10-11,15-16H,9H2,1-4H3.
What are the key properties of N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide?
N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 64583151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).