1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol

C6H7NO3S2 — CID 19738003

IUPAC1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol
SMILESO=S1(=O)NCC(O)c2sccc21
InChIInChI=1S/C6H7NO3S2/c8-4-3-7-12(9,10)5-1-2-11-6(4)5/h1-2,4,7-8H,3H2
InChIKeyKEPIKQKCKNDGKJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.07
Rot. Bonds

About 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol

1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol (PubChem CID 19738003) has the molecular formula C6H7NO3S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol.

Molecular Properties

Compound Name1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol
PubChem CID19738003
Molecular FormulaC6H7NO3S2
Molecular Weight205.26 g/mol
Exact Mass204.99
IUPAC Name1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol
SMILESO=S1(=O)NCC(O)c2sccc21
InChIInChI=1S/C6H7NO3S2/c8-4-3-7-12(9,10)5-1-2-11-6(4)5/h1-2,4,7-8H,3H2
InChIKeyKEPIKQKCKNDGKJ-UHFFFAOYSA-N
XLogP0.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol?
The IUPAC name of 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol (CID 19738003) is 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol.
What is the SMILES notation for 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol?
The canonical SMILES for 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol is O=S1(=O)NCC(O)c2sccc21.
What is the InChIKey of 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol?
The InChIKey is KEPIKQKCKNDGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S2/c8-4-3-7-12(9,10)5-1-2-11-6(4)5/h1-2,4,7-8H,3H2.
What are the key properties of 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol?
1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol has a molecular weight of 205.26 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3,4-dihydro-2H-thieno[2,3-e]thiazin-4-ol is sourced from PubChem (CID 19738003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).