ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate

C8H10N2O3S — CID 139237272

IUPACethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate
SMILESCCOC(=O)c1cc(=O)nc(NC)s1
InChIInChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-6(11)10-8(9-2)14-5/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyWHAFVRFVTWPNOU-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.72
Rot. Bonds3

About ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate

ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate (PubChem CID 139237272) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate
PubChem CID139237272
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Nameethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate
SMILESCCOC(=O)c1cc(=O)nc(NC)s1
InChIInChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-6(11)10-8(9-2)14-5/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyWHAFVRFVTWPNOU-UHFFFAOYSA-N
XLogP0.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate
CID 27277044
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate
CID 15635438
methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate
CID 4097800
diethyl 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11290764
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
ethyl 4-hydroxy-5-methylthiophene-2-carboxylate
CID 588232
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196
diethyl 5-aminothiophene-2,4-dicarboxylate
CID 4082907
ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate
CID 67428223
ethyl 5,6,7-trimethyl-1-benzothiophene-2-carboxylate
CID 158313823
ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate
CID 133055284

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate?
The IUPAC name of ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate (CID 139237272) is ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate.
What is the SMILES notation for ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate?
The canonical SMILES for ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate is CCOC(=O)c1cc(=O)nc(NC)s1.
What is the InChIKey of ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate?
The InChIKey is WHAFVRFVTWPNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-6(11)10-8(9-2)14-5/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate?
ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate has a molecular weight of 214.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate is sourced from PubChem (CID 139237272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).