5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid

C8H10N2O6S2 — CID 82838842

IUPAC5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C8H10N2O6S2/c1-17(13,14)5-18(15,16)10-7-2-6(8(11)12)3-9-4-7/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyHQRVDIAPNNHZSX-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.48
Rot. Bonds5

About 5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid

5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid (PubChem CID 82838842) has the molecular formula C8H10N2O6S2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid
PubChem CID82838842
Molecular FormulaC8H10N2O6S2
Molecular Weight294.31 g/mol
Exact Mass294.00
IUPAC Name5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)CS(=O)(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C8H10N2O6S2/c1-17(13,14)5-18(15,16)10-7-2-6(8(11)12)3-9-4-7/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyHQRVDIAPNNHZSX-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

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid (CID 82838842) is 5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid is CS(=O)(=O)CS(=O)(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid?
The InChIKey is HQRVDIAPNNHZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O6S2/c1-17(13,14)5-18(15,16)10-7-2-6(8(11)12)3-9-4-7/h2-4,10H,5H2,1H3,(H,11,12).
What are the key properties of 5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid?
5-(methylsulfonylmethylsulfonylamino)pyridine-3-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-3-carboxylic acid is sourced from PubChem (CID 82838842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).