2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide

C13H20N4O2S — CID 62152957

IUPAC2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)c1c(N)nc2ccccn12
InChIInChI=1S/C13H20N4O2S/c1-10(2)7-9-16(3)20(18,19)13-12(14)15-11-6-4-5-8-17(11)13/h4-6,8,10H,7,9,14H2,1-3H3
InChIKeyXPCASXSLSRESJH-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.58
Rot. Bonds5

About 2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide

2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 62152957) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID62152957
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCC(C)CCN(C)S(=O)(=O)c1c(N)nc2ccccn12
InChIInChI=1S/C13H20N4O2S/c1-10(2)7-9-16(3)20(18,19)13-12(14)15-11-6-4-5-8-17(11)13/h4-6,8,10H,7,9,14H2,1-3H3
InChIKeyXPCASXSLSRESJH-UHFFFAOYSA-N
XLogP1.58
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide
CID 64518723
2-amino-N-[1-(dimethylamino)propan-2-yl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 82950156
2-amino-N-(2-hydroxyethyl)-N-propylimidazo[1,2-a]pyridine-3-sulfonamide
CID 62157507
2-chloro-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide
CID 47298945
2-amino-N-cyclopentyl-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide
CID 62145734
2-chloro-N-methyl-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide
CID 60815287
2-amino-N-(3-methylpentan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62159104
2-amino-N-(cyclobutylmethyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide
CID 107401247
2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide
CID 115640464
2-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 115986127
2-hydrazinyl-N-(3-hydroxypropyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide
CID 114230312
3-(3,5-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridin-2-amine
CID 62144023

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 62152957) is 2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide is CC(C)CCN(C)S(=O)(=O)c1c(N)nc2ccccn12.
What is the InChIKey of 2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is XPCASXSLSRESJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-10(2)7-9-16(3)20(18,19)13-12(14)15-11-6-4-5-8-17(11)13/h4-6,8,10H,7,9,14H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(3-methylbutyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 62152957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).