3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid

C11H16N2O4S — CID 113447522

IUPAC3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid
SMILESCC(C)CCS(=O)(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-8(2)5-7-18(16,17)13-9-4-3-6-12-10(9)11(14)15/h3-4,6,8,13H,5,7H2,1-2H3,(H,14,15)
InChIKeyPWRVQFYLXGHWHV-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.57
Rot. Bonds6

About 3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid

3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid (PubChem CID 113447522) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid
PubChem CID113447522
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid
SMILESCC(C)CCS(=O)(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-8(2)5-7-18(16,17)13-9-4-3-6-12-10(9)11(14)15/h3-4,6,8,13H,5,7H2,1-2H3,(H,14,15)
InChIKeyPWRVQFYLXGHWHV-UHFFFAOYSA-N
XLogP1.57
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Aminopicolinic acid
CID 73836
5-Methanesulfonamidopyridine-2-carboxylic acid
CID 5278288
5-Phenylmethanesulfonylaminocarbonyl-pyridine-2-carboxylic acid
CID 44379135
3-(2,5-Dimethylpyrrol-1-yl)pyridine-2-carboxylic acid
CID 90154501
2-Pyridinecarboxylic acid, 3-((3-(acetylthio)-2-methyl-1-oxopropyl)amino)-
CID 3063378
2-Pyridinecarboxylic acid, 3-((3-(acetylthio)-2-methyl-1-oxopropyl)amino)-, methyl ester
CID 24844485
3-Amino-4-methylpyridine-2-carboxylic acid
CID 572618
5-(Propan-2-ylsulfonylcarbamoyl)pyridine-2-carboxylic acid;hydrochloride
CID 49861182
5-(Methylsulfonylcarbamoyl)pyridine-2-carboxylic acid;hydrochloride
CID 49861183
5-(Butylsulfonylamino)pyridine-2-carboxylic acid
CID 12640222
3-(Piperidin-1-yl)picolinic acid
CID 18525731
3-{[(Tert-butoxy)carbonyl]amino}pyridine-2-carboxylic acid
CID 1502052

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid (CID 113447522) is 3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid is CC(C)CCS(=O)(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid?
The InChIKey is PWRVQFYLXGHWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8(2)5-7-18(16,17)13-9-4-3-6-12-10(9)11(14)15/h3-4,6,8,13H,5,7H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid?
3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 113447522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).