methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate

C8H10N2O4S — CID 163377018

IUPACmethyl 3-amino-5-methylsulfonylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(S(C)(=O)=O)cc1N
InChIInChI=1S/C8H10N2O4S/c1-14-8(11)7-6(9)3-5(4-10-7)15(2,12)13/h3-4H,9H2,1-2H3
InChIKeyILGDQJGKYRNFCG-UHFFFAOYSA-N
MW230.25 g/mol
LogP-0.15
Rot. Bonds2

About methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate

methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate (PubChem CID 163377018) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-methylsulfonylpyridine-2-carboxylate
PubChem CID163377018
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Namemethyl 3-amino-5-methylsulfonylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(S(C)(=O)=O)cc1N
InChIInChI=1S/C8H10N2O4S/c1-14-8(11)7-6(9)3-5(4-10-7)15(2,12)13/h3-4H,9H2,1-2H3
InChIKeyILGDQJGKYRNFCG-UHFFFAOYSA-N
XLogP-0.15
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-5-methylsulfonylpyridine-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

methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate
CID 172649603
methyl 5-methylsulfonylpyridine-3-carboxylate
CID 23436925
methyl 3-amino-5-cyclopropyloxypyridine-2-carboxylate
CID 169231845
methyl 6-chloro-4-[(5-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxylate
CID 86689711
methyl 3-amino-5-[(E)-2-(3-amino-4-methoxycarbonylphenyl)ethenyl]pyridine-2-carboxylate
CID 176914411
methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate
CID 154951895
methyl 3-amino-4-methylsulfonylbenzoate
CID 19096023
methyl 6-chloro-4-[(5-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate;5-methylsulfonylpyridin-2-amine
CID 158782125
methyl 3-amino-6-[2-(5-amino-6-methoxycarbonyl-3-pyridinyl)ethynyl]pyridine-2-carboxylate
CID 176914400
3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
CID 174889373
methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate
CID 107346339
methyl 5-amino-2-methylpyrimidine-4-carboxylate
CID 84717183

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate (CID 163377018) is methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate is COC(=O)c1ncc(S(C)(=O)=O)cc1N.
What is the InChIKey of methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate?
The InChIKey is ILGDQJGKYRNFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-14-8(11)7-6(9)3-5(4-10-7)15(2,12)13/h3-4H,9H2,1-2H3.
What are the key properties of methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate?
methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate has a molecular weight of 230.25 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate is sourced from PubChem (CID 163377018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).