methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate

C8H9NO5S2 — CID 169263128

IUPACmethyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate
SMILESCOC(=O)c1cc2c(s1)S(=O)(=O)NCC2O
InChIInChI=1S/C8H9NO5S2/c1-14-7(11)6-2-4-5(10)3-9-16(12,13)8(4)15-6/h2,5,9-10H,3H2,1H3
InChIKeyFINXYRVDMIIFFG-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.14
Rot. Bonds1

About methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate

methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate (PubChem CID 169263128) has the molecular formula C8H9NO5S2 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate
PubChem CID169263128
Molecular FormulaC8H9NO5S2
Molecular Weight263.30 g/mol
Exact Mass262.99
IUPAC Namemethyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate
SMILESCOC(=O)c1cc2c(s1)S(=O)(=O)NCC2O
InChIInChI=1S/C8H9NO5S2/c1-14-7(11)6-2-4-5(10)3-9-16(12,13)8(4)15-6/h2,5,9-10H,3H2,1H3
InChIKeyFINXYRVDMIIFFG-UHFFFAOYSA-N
XLogP-0.14
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate?
The IUPAC name of methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate (CID 169263128) is methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate is COC(=O)c1cc2c(s1)S(=O)(=O)NCC2O.
What is the InChIKey of methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate?
The InChIKey is FINXYRVDMIIFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5S2/c1-14-7(11)6-2-4-5(10)3-9-16(12,13)8(4)15-6/h2,5,9-10H,3H2,1H3.
What are the key properties of methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate?
methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate has a molecular weight of 263.30 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-carboxylate is sourced from PubChem (CID 169263128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).