ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate

C11H17N3O4S — CID 106337804

IUPACethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCS(=O)(=O)NC
InChIInChI=1S/C11H17N3O4S/c1-3-18-11(15)9-5-4-6-13-10(9)14-7-8-19(16,17)12-2/h4-6,12H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyWUBOMGALUNBYGQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.22
Rot. Bonds7

About ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate

ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate (PubChem CID 106337804) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
PubChem CID106337804
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCS(=O)(=O)NC
InChIInChI=1S/C11H17N3O4S/c1-3-18-11(15)9-5-4-6-13-10(9)14-7-8-19(16,17)12-2/h4-6,12H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyWUBOMGALUNBYGQ-UHFFFAOYSA-N
XLogP0.22
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
CID 24708096
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
2-[(3-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334011
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
CID 104695510
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate (CID 106337804) is ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCCS(=O)(=O)NC.
What is the InChIKey of ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate?
The InChIKey is WUBOMGALUNBYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-18-11(15)9-5-4-6-13-10(9)14-7-8-19(16,17)12-2/h4-6,12H,3,7-8H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate?
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 106337804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).