methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate

C8H9NO4S — CID 15635438

IUPACmethyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate
SMILESCCOc1nc(=O)cc(C(=O)OC)s1
InChIInChI=1S/C8H9NO4S/c1-3-13-8-9-6(10)4-5(14-8)7(11)12-2/h4H,3H2,1-2H3
InChIKeySPUWZMYCPBIJIY-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.69
Rot. Bonds3

About methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate

methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate (PubChem CID 15635438) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate
PubChem CID15635438
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Namemethyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate
SMILESCCOc1nc(=O)cc(C(=O)OC)s1
InChIInChI=1S/C8H9NO4S/c1-3-13-8-9-6(10)4-5(14-8)7(11)12-2/h4H,3H2,1-2H3
InChIKeySPUWZMYCPBIJIY-UHFFFAOYSA-N
XLogP0.69
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate?
The IUPAC name of methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate (CID 15635438) is methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate.
What is the SMILES notation for methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate?
The canonical SMILES for methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate is CCOc1nc(=O)cc(C(=O)OC)s1.
What is the InChIKey of methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate?
The InChIKey is SPUWZMYCPBIJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-3-13-8-9-6(10)4-5(14-8)7(11)12-2/h4H,3H2,1-2H3.
What are the key properties of methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate?
methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate has a molecular weight of 215.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate is sourced from PubChem (CID 15635438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).