methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate

C11H17N3O4S — CID 58977998

IUPACmethyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1NCCS(=O)(=O)N(C)C
InChIInChI=1S/C11H17N3O4S/c1-14(2)19(16,17)8-7-12-9-5-4-6-13-10(9)11(15)18-3/h4-6,12H,7-8H2,1-3H3
InChIKeyHTROHOVXYIYAOR-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.17
Rot. Bonds6

About methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate

methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate (PubChem CID 58977998) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate
PubChem CID58977998
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Namemethyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1NCCS(=O)(=O)N(C)C
InChIInChI=1S/C11H17N3O4S/c1-14(2)19(16,17)8-7-12-9-5-4-6-13-10(9)11(15)18-3/h4-6,12H,7-8H2,1-3H3
InChIKeyHTROHOVXYIYAOR-UHFFFAOYSA-N
XLogP0.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 114176023
N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide
CID 106338931
3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide
CID 106339198
methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate
CID 155432044
N-[2-(dimethylsulfamoyl)ethyl]-3-hydrazinylpyridine-2-sulfonamide
CID 106340180
methyl 2-[3-(dimethylsulfamoyl)propanoylamino]benzoate
CID 110343407
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate
CID 119036850
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
methyl 5-[[2-(dimethylsulfamoyl)ethylamino]methyl]-1H-pyrrole-2-carboxylate
CID 106335639
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate (CID 58977998) is methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate is COC(=O)c1ncccc1NCCS(=O)(=O)N(C)C.
What is the InChIKey of methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate?
The InChIKey is HTROHOVXYIYAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-14(2)19(16,17)8-7-12-9-5-4-6-13-10(9)11(15)18-3/h4-6,12H,7-8H2,1-3H3.
What are the key properties of methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate?
methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate is sourced from PubChem (CID 58977998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).