2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

C9H13NO4S2 — CID 19737955

IUPAC2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCN1CC(O)c2ccsc2S1(=O)=O
InChIInChI=1S/C9H13NO4S2/c1-14-4-3-10-6-8(11)7-2-5-15-9(7)16(10,12)13/h2,5,8,11H,3-4,6H2,1H3
InChIKeyNNVGXPMPCYQVLF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.43
Rot. Bonds3

About 2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (PubChem CID 19737955) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
PubChem CID19737955
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCN1CC(O)c2ccsc2S1(=O)=O
InChIInChI=1S/C9H13NO4S2/c1-14-4-3-10-6-8(11)7-2-5-15-9(7)16(10,12)13/h2,5,8,11H,3-4,6H2,1H3
InChIKeyNNVGXPMPCYQVLF-UHFFFAOYSA-N
XLogP0.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The IUPAC name of 2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (CID 19737955) is 2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is COCCN1CC(O)c2ccsc2S1(=O)=O.
What is the InChIKey of 2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The InChIKey is NNVGXPMPCYQVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-14-4-3-10-6-8(11)7-2-5-15-9(7)16(10,12)13/h2,5,8,11H,3-4,6H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol has a molecular weight of 263.34 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 19737955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).