2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid

C11H13N3O3S — CID 113480060

IUPAC2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCS(=O)CCNc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C11H13N3O3S/c1-18(17)7-5-12-10-9(11(15)16)14-6-3-2-4-8(14)13-10/h2-4,6,12H,5,7H2,1H3,(H,15,16)
InChIKeyGXWPCUZXHDEYRO-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.82
Rot. Bonds5

About 2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 113480060) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID113480060
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCS(=O)CCNc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C11H13N3O3S/c1-18(17)7-5-12-10-9(11(15)16)14-6-3-2-4-8(14)13-10/h2-4,6,12H,5,7H2,1H3,(H,15,16)
InChIKeyGXWPCUZXHDEYRO-UHFFFAOYSA-N
XLogP0.82
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 113480060) is 2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid is CS(=O)CCNc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is GXWPCUZXHDEYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-18(17)7-5-12-10-9(11(15)16)14-6-3-2-4-8(14)13-10/h2-4,6,12H,5,7H2,1H3,(H,15,16).
What are the key properties of 2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 113480060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).