2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

C7H9NO3S2 — CID 19737958

IUPAC2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCN1CC(O)c2ccsc2S1(=O)=O
InChIInChI=1S/C7H9NO3S2/c1-8-4-6(9)5-2-3-12-7(5)13(8,10)11/h2-3,6,9H,4H2,1H3
InChIKeyVICGZPZLLAPEND-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.42
Rot. Bonds

About 2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (PubChem CID 19737958) has the molecular formula C7H9NO3S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
PubChem CID19737958
Molecular FormulaC7H9NO3S2
Molecular Weight219.29 g/mol
Exact Mass219.00
IUPAC Name2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCN1CC(O)c2ccsc2S1(=O)=O
InChIInChI=1S/C7H9NO3S2/c1-8-4-6(9)5-2-3-12-7(5)13(8,10)11/h2-3,6,9H,4H2,1H3
InChIKeyVICGZPZLLAPEND-UHFFFAOYSA-N
XLogP0.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The IUPAC name of 2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (CID 19737958) is 2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is CN1CC(O)c2ccsc2S1(=O)=O.
What is the InChIKey of 2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The InChIKey is VICGZPZLLAPEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S2/c1-8-4-6(9)5-2-3-12-7(5)13(8,10)11/h2-3,6,9H,4H2,1H3.
What are the key properties of 2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol has a molecular weight of 219.29 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 19737958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).