methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate

C8H11N3O4S — CID 177315632

IUPACmethyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate
SMILESCNS(=O)(=O)c1ccc(N)c(C(=O)OC)n1
InChIInChI=1S/C8H11N3O4S/c1-10-16(13,14)6-4-3-5(9)7(11-6)8(12)15-2/h3-4,10H,9H2,1-2H3
InChIKeyZONUCIMRZVLJRS-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.64
Rot. Bonds3

About methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate

methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate (PubChem CID 177315632) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate
PubChem CID177315632
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Namemethyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate
SMILESCNS(=O)(=O)c1ccc(N)c(C(=O)OC)n1
InChIInChI=1S/C8H11N3O4S/c1-10-16(13,14)6-4-3-5(9)7(11-6)8(12)15-2/h3-4,10H,9H2,1-2H3
InChIKeyZONUCIMRZVLJRS-UHFFFAOYSA-N
XLogP-0.64
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate
CID 70098483
methyl 3-amino-6-methoxypyridine-2-carboxylate;hydrochloride
CID 71544878
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate
CID 107346272
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate
CID 167489425
methyl 4-aminopyridazine-3-carboxylate
CID 166610770
methyl 5-amino-2-methylpyrimidine-4-carboxylate
CID 84717183
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133086897
methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130104973
methyl 3-amino-6-[2-(5-amino-6-methoxycarbonyl-3-pyridinyl)ethynyl]pyridine-2-carboxylate
CID 176914400

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate (CID 177315632) is methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate is CNS(=O)(=O)c1ccc(N)c(C(=O)OC)n1.
What is the InChIKey of methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate?
The InChIKey is ZONUCIMRZVLJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-10-16(13,14)6-4-3-5(9)7(11-6)8(12)15-2/h3-4,10H,9H2,1-2H3.
What are the key properties of methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate?
methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate has a molecular weight of 245.26 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 177315632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).