ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate

C11H16N2O3S — CID 104695493

IUPACethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCS(C)=O
InChIInChI=1S/C11H16N2O3S/c1-3-16-11(14)9-5-4-6-12-10(9)13-7-8-17(2)15/h4-6H,3,7-8H2,1-2H3,(H,12,13)
InChIKeyMWAGSRARHOLPBJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.05
Rot. Bonds6

About ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate

ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate (PubChem CID 104695493) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
PubChem CID104695493
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCS(C)=O
InChIInChI=1S/C11H16N2O3S/c1-3-16-11(14)9-5-4-6-12-10(9)13-7-8-17(2)15/h4-6H,3,7-8H2,1-2H3,(H,12,13)
InChIKeyMWAGSRARHOLPBJ-UHFFFAOYSA-N
XLogP1.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
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ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
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ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
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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
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate
CID 104530067
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate (CID 104695493) is ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCCS(C)=O.
What is the InChIKey of ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate?
The InChIKey is MWAGSRARHOLPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-16-11(14)9-5-4-6-12-10(9)13-7-8-17(2)15/h4-6H,3,7-8H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate?
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 104695493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).