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

C6H7NO3S2 — CID 24997612

IUPAC(4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESO=S1(=O)NC[C@H](O)c2ccsc21
InChIInChI=1S/C6H7NO3S2/c8-5-3-7-12(9,10)6-4(5)1-2-11-6/h1-2,5,7-8H,3H2/t5-/m0/s1
InChIKeyXJIFVJXWTXQPAJ-YFKPBYRVSA-N
MW205.26 g/mol
LogP0.07
Rot. Bonds

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

(4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (PubChem CID 24997612) has the molecular formula C6H7NO3S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name(4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
PubChem CID24997612
Molecular FormulaC6H7NO3S2
Molecular Weight205.26 g/mol
Exact Mass204.99
IUPAC Name(4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESO=S1(=O)NC[C@H](O)c2ccsc21
InChIInChI=1S/C6H7NO3S2/c8-5-3-7-12(9,10)6-4(5)1-2-11-6/h1-2,5,7-8H,3H2/t5-/m0/s1
InChIKeyXJIFVJXWTXQPAJ-YFKPBYRVSA-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 (4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The IUPAC name of (4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (CID 24997612) is (4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for (4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The canonical SMILES for (4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is O=S1(=O)NC[C@H](O)c2ccsc21.
What is the InChIKey of (4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The InChIKey is XJIFVJXWTXQPAJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H7NO3S2/c8-5-3-7-12(9,10)6-4(5)1-2-11-6/h1-2,5,7-8H,3H2/t5-/m0/s1.
What are the key properties of (4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
(4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-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 (4R)-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 24997612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).