4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate

C8H9N2O4S- — CID 2052731

IUPAC4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate
SMILESCN(c1ccnc(C(=O)[O-])c1)S(C)(=O)=O
InChIInChI=1S/C8H10N2O4S/c1-10(15(2,13)14)6-3-4-9-7(5-6)8(11)12/h3-5H,1-2H3,(H,11,12)/p-1
InChIKeyIELJWLAXWABCLK-UHFFFAOYSA-M
MW229.24 g/mol
LogP-1.16
Rot. Bonds3

About 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate

4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate (PubChem CID 2052731) has the molecular formula C8H9N2O4S- and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate
PubChem CID2052731
Molecular FormulaC8H9N2O4S-
Molecular Weight229.24 g/mol
Exact Mass229.03
IUPAC Name4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate
SMILESCN(c1ccnc(C(=O)[O-])c1)S(C)(=O)=O
InChIInChI=1S/C8H10N2O4S/c1-10(15(2,13)14)6-3-4-9-7(5-6)8(11)12/h3-5H,1-2H3,(H,11,12)/p-1
InChIKeyIELJWLAXWABCLK-UHFFFAOYSA-M
XLogP-1.16
TPSA90.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate (CID 2052731) is 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate is CN(c1ccnc(C(=O)[O-])c1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate?
The InChIKey is IELJWLAXWABCLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O4S/c1-10(15(2,13)14)6-3-4-9-7(5-6)8(11)12/h3-5H,1-2H3,(H,11,12)/p-1.
What are the key properties of 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate?
4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate has a molecular weight of 229.24 g/mol, XLogP of -1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 2052731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).