2-(methylamino)pyridine-3-sulfonic acid

C6H8N2O3S — CID 15595252

IUPAC2-(methylamino)pyridine-3-sulfonic acid
SMILESCNc1ncccc1S(=O)(=O)O
InChIInChI=1S/C6H8N2O3S/c1-7-6-5(12(9,10)11)3-2-4-8-6/h2-4H,1H3,(H,7,8)(H,9,10,11)
InChIKeyZYDJEQNYTZNDBZ-UHFFFAOYSA-N
MW188.21 g/mol
LogP0.37
Rot. Bonds2

About 2-(methylamino)pyridine-3-sulfonic acid

2-(methylamino)pyridine-3-sulfonic acid (PubChem CID 15595252) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-(methylamino)pyridine-3-sulfonic acid.

Molecular Properties

Compound Name2-(methylamino)pyridine-3-sulfonic acid
PubChem CID15595252
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name2-(methylamino)pyridine-3-sulfonic acid
SMILESCNc1ncccc1S(=O)(=O)O
InChIInChI=1S/C6H8N2O3S/c1-7-6-5(12(9,10)11)3-2-4-8-6/h2-4H,1H3,(H,7,8)(H,9,10,11)
InChIKeyZYDJEQNYTZNDBZ-UHFFFAOYSA-N
XLogP0.37
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62159401
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939
2-(methylamino)-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 62144229
N-cyclopropyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62146294
N-(2-hydroxycyclohexyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55063851
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62152806
N-(2-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144368
2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79356890
N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62162650
lithium;2-chloropyridine-3-sulfonic acid;hydride
CID 173107701
2-(methylamino)-N-(oxan-3-yl)pyridine-3-sulfonamide
CID 63361997

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)pyridine-3-sulfonic acid?
The IUPAC name of 2-(methylamino)pyridine-3-sulfonic acid (CID 15595252) is 2-(methylamino)pyridine-3-sulfonic acid.
What is the SMILES notation for 2-(methylamino)pyridine-3-sulfonic acid?
The canonical SMILES for 2-(methylamino)pyridine-3-sulfonic acid is CNc1ncccc1S(=O)(=O)O.
What is the InChIKey of 2-(methylamino)pyridine-3-sulfonic acid?
The InChIKey is ZYDJEQNYTZNDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-7-6-5(12(9,10)11)3-2-4-8-6/h2-4H,1H3,(H,7,8)(H,9,10,11).
What are the key properties of 2-(methylamino)pyridine-3-sulfonic acid?
2-(methylamino)pyridine-3-sulfonic acid has a molecular weight of 188.21 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)pyridine-3-sulfonic acid is sourced from PubChem (CID 15595252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).