methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate

C13H11NO5S3 — CID 54719486

IUPACmethyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate
SMILESCOC(=O)C1=C(O)c2sc(-c3cccs3)cc2S(=O)(=O)N1C
InChIInChI=1S/C13H11NO5S3/c1-14-10(13(16)19-2)11(15)12-9(22(14,17)18)6-8(21-12)7-4-3-5-20-7/h3-6,15H,1-2H3
InChIKeyWUWSSYJMGMYMKS-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.51
Rot. Bonds2

About methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate

methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate (PubChem CID 54719486) has the molecular formula C13H11NO5S3 and a molecular weight of 357.43 g/mol. Its IUPAC name is methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate
PubChem CID54719486
Molecular FormulaC13H11NO5S3
Molecular Weight357.43 g/mol
Exact Mass356.98
IUPAC Namemethyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate
SMILESCOC(=O)C1=C(O)c2sc(-c3cccs3)cc2S(=O)(=O)N1C
InChIInChI=1S/C13H11NO5S3/c1-14-10(13(16)19-2)11(15)12-9(22(14,17)18)6-8(21-12)7-4-3-5-20-7/h3-6,15H,1-2H3
InChIKeyWUWSSYJMGMYMKS-UHFFFAOYSA-N
XLogP2.51
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate (CID 54719486) is methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate is COC(=O)C1=C(O)c2sc(-c3cccs3)cc2S(=O)(=O)N1C.
What is the InChIKey of methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate?
The InChIKey is WUWSSYJMGMYMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5S3/c1-14-10(13(16)19-2)11(15)12-9(22(14,17)18)6-8(21-12)7-4-3-5-20-7/h3-6,15H,1-2H3.
What are the key properties of methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate?
methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate has a molecular weight of 357.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate is sourced from PubChem (CID 54719486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).