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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Related Compounds

4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid
CID 2052732
N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide
CID 122468711
sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
CID 23717609
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
4-(3-chloro-N-methylsulfonylanilino)pyridine-2-carboxylic acid
CID 160901776
4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride
CID 19080175
1-[4-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]-2-pyridinyl]ethanone
CID 86818090
4-[(3,4-dichlorophenyl)methylsulfonyl-methylamino]-N-methylpyridine-2-carboxamide
CID 71849433
4-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
CID 43569490
(4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone
CID 138968408
N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 46258122

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).