4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid

C9H12N2O4S — CID 81233404

IUPAC4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)CCNc1ccncc1C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-16(14,15)5-4-11-8-2-3-10-6-7(8)9(12)13/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyXBFKFZURCBIDHS-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.24
Rot. Bonds5

About 4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid

4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid (PubChem CID 81233404) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
PubChem CID81233404
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)CCNc1ccncc1C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-16(14,15)5-4-11-8-2-3-10-6-7(8)9(12)13/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyXBFKFZURCBIDHS-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

4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
2-(2-methylsulfonylethylamino)benzoic acid
CID 62230522
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81233296
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 81243605
4-bromo-2-(2-methylsulfonylethylamino)benzoic acid
CID 114907175

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid (CID 81233404) is 4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid is CS(=O)(=O)CCNc1ccncc1C(=O)O.
What is the InChIKey of 4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid?
The InChIKey is XBFKFZURCBIDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-16(14,15)5-4-11-8-2-3-10-6-7(8)9(12)13/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid?
4-(2-methylsulfonylethylamino)pyridine-3-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 4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81233404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).