methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate

C7H9N3O3S — CID 155432044

IUPACmethyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate
SMILES[H]N=S(N)(=O)c1cccnc1C(=O)OC
InChIInChI=1S/C7H9N3O3S/c1-13-7(11)6-5(14(8,9)12)3-2-4-10-6/h2-4H,1H3,(H3,8,9,12)
InChIKeyUGTXITMCGGUTOC-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.15
Rot. Bonds2

About methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate

methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate (PubChem CID 155432044) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate
PubChem CID155432044
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Namemethyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate
SMILES[H]N=S(N)(=O)c1cccnc1C(=O)OC
InChIInChI=1S/C7H9N3O3S/c1-13-7(11)6-5(14(8,9)12)3-2-4-10-6/h2-4H,1H3,(H3,8,9,12)
InChIKeyUGTXITMCGGUTOC-UHFFFAOYSA-N
XLogP0.15
TPSA106.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate 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

ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
2-[(2-methoxycarbonyl-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 122067773
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
methyl 5-fluorosulfonylisoquinoline-1-carboxylate
CID 154832167
methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate
CID 58977998
methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate
CID 163242879
methyl 2-methylpyridine-3-carboxylate
CID 7015327
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 65427405
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate (CID 155432044) is methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate is [H]N=S(N)(=O)c1cccnc1C(=O)OC.
What is the InChIKey of methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate?
The InChIKey is UGTXITMCGGUTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-13-7(11)6-5(14(8,9)12)3-2-4-10-6/h2-4H,1H3,(H3,8,9,12).
What are the key properties of methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate?
methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate has a molecular weight of 215.23 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate is sourced from PubChem (CID 155432044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).