ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate

C14H13NO5S2 — CID 70577588

IUPACethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate
SMILESCCOC(=O)C1=C(O)c2sc3ccccc3c2S(=O)(=O)N1C
InChIInChI=1S/C14H13NO5S2/c1-3-20-14(17)10-11(16)12-13(22(18,19)15(10)2)8-6-4-5-7-9(8)21-12/h4-7,16H,3H2,1-2H3
InChIKeyVBKUTSTWSPESBA-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.33
Rot. Bonds2

About ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate

ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate (PubChem CID 70577588) has the molecular formula C14H13NO5S2 and a molecular weight of 339.39 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate
PubChem CID70577588
Molecular FormulaC14H13NO5S2
Molecular Weight339.39 g/mol
Exact Mass339.02
IUPAC Nameethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate
SMILESCCOC(=O)C1=C(O)c2sc3ccccc3c2S(=O)(=O)N1C
InChIInChI=1S/C14H13NO5S2/c1-3-20-14(17)10-11(16)12-13(22(18,19)15(10)2)8-6-4-5-7-9(8)21-12/h4-7,16H,3H2,1-2H3
InChIKeyVBKUTSTWSPESBA-UHFFFAOYSA-N
XLogP2.33
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate (CID 70577588) is ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate is CCOC(=O)C1=C(O)c2sc3ccccc3c2S(=O)(=O)N1C.
What is the InChIKey of ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate?
The InChIKey is VBKUTSTWSPESBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S2/c1-3-20-14(17)10-11(16)12-13(22(18,19)15(10)2)8-6-4-5-7-9(8)21-12/h4-7,16H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate?
ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate is sourced from PubChem (CID 70577588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).