5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid

C9H12N2O4S — CID 115490610

IUPAC5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
SMILESCS(=O)(=O)CCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H12N2O4S/c1-16(14,15)5-4-10-7-2-3-8(9(12)13)11-6-7/h2-3,6,10H,4-5H2,1H3,(H,12,13)
InChIKeyKZYLIDLUVXXMMK-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.24
Rot. Bonds5

About 5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid

5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid (PubChem CID 115490610) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
PubChem CID115490610
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
SMILESCS(=O)(=O)CCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H12N2O4S/c1-16(14,15)5-4-10-7-2-3-8(9(12)13)11-6-7/h2-3,6,10H,4-5H2,1H3,(H,12,13)
InChIKeyKZYLIDLUVXXMMK-UHFFFAOYSA-N
XLogP0.24
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 115490708
5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid
CID 82840031
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid
CID 114468082
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 104638890
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid (CID 115490610) is 5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid is CS(=O)(=O)CCNc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid?
The InChIKey is KZYLIDLUVXXMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-16(14,15)5-4-10-7-2-3-8(9(12)13)11-6-7/h2-3,6,10H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid?
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 115490610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).