5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid

C8H10N2O6S2 — CID 82840031

IUPAC5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C8H10N2O6S2/c1-17(13,14)5-18(15,16)10-6-2-3-7(8(11)12)9-4-6/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyIDCJFQINQXOVFN-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.48
Rot. Bonds5

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

5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid (PubChem CID 82840031) has the molecular formula C8H10N2O6S2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid
PubChem CID82840031
Molecular FormulaC8H10N2O6S2
Molecular Weight294.31 g/mol
Exact Mass294.00
IUPAC Name5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C8H10N2O6S2/c1-17(13,14)5-18(15,16)10-6-2-3-7(8(11)12)9-4-6/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyIDCJFQINQXOVFN-UHFFFAOYSA-N
XLogP-0.48
TPSA130.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-(sulfamoylamino)pyridine-2-carboxylic acid
CID 114958996
5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid
CID 114806806
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid
CID 82838842
5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
CID 83024404
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 115490708
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686
5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 83186758
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid (CID 82840031) is 5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid is CS(=O)(=O)CS(=O)(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid?
The InChIKey is IDCJFQINQXOVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O6S2/c1-17(13,14)5-18(15,16)10-6-2-3-7(8(11)12)9-4-6/h2-4,10H,5H2,1H3,(H,11,12).
What are the key properties of 5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid?
5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfonylmethylsulfonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 82840031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).