4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid

C11H16N2O4S — CID 61003705

IUPAC4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCCS(C)(=O)=O)n1
InChIInChI=1S/C11H16N2O4S/c1-7-6-8(2)13-10(9(7)11(14)15)12-4-5-18(3,16)17/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyHPFOAUCGJNCCQA-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.85
Rot. Bonds5

About 4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid

4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid (PubChem CID 61003705) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
PubChem CID61003705
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCCS(C)(=O)=O)n1
InChIInChI=1S/C11H16N2O4S/c1-7-6-8(2)13-10(9(7)11(14)15)12-4-5-18(3,16)17/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyHPFOAUCGJNCCQA-UHFFFAOYSA-N
XLogP0.85
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid (CID 61003705) is 4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCCS(C)(=O)=O)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid?
The InChIKey is HPFOAUCGJNCCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-6-8(2)13-10(9(7)11(14)15)12-4-5-18(3,16)17/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid?
4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 61003705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).