2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid

C11H16N2O4S — CID 114112447

IUPAC2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
SMILESCCS(=O)(=O)CCNc1nccc(C)c1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-3-18(16,17)7-6-13-10-9(11(14)15)8(2)4-5-12-10/h4-5H,3,6-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyCCWARFJMIWKHMM-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.93
Rot. Bonds6

About 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid

2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid (PubChem CID 114112447) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
PubChem CID114112447
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
SMILESCCS(=O)(=O)CCNc1nccc(C)c1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-3-18(16,17)7-6-13-10-9(11(14)15)8(2)4-5-12-10/h4-5H,3,6-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyCCWARFJMIWKHMM-UHFFFAOYSA-N
XLogP0.93
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
CID 82947512
4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid
CID 115327372
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
CID 113412232
4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106409642
2-[(3-hydroxy-4-methoxybutyl)amino]-4-methylpyridine-3-carboxylic acid
CID 114163853
2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 107854772
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114129166
4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 106897797
4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106377654
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 106042723
4-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106022164
4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 61003705

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid (CID 114112447) is 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid is CCS(=O)(=O)CCNc1nccc(C)c1C(=O)O.
What is the InChIKey of 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid?
The InChIKey is CCWARFJMIWKHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-18(16,17)7-6-13-10-9(11(14)15)8(2)4-5-12-10/h4-5H,3,6-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid?
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 114112447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).