4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide

C6H8N2O4S3 — CID 10061571

IUPAC4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)S(=O)(=O)CCN2
InChIInChI=1S/C6H8N2O4S3/c7-15(11,12)5-3-4-6(13-5)14(9,10)2-1-8-4/h3,8H,1-2H2,(H2,7,11,12)
InChIKeyIXFWDXZFHJCFHL-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.41
Rot. Bonds1

About 4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide

4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide (PubChem CID 10061571) has the molecular formula C6H8N2O4S3 and a molecular weight of 268.34 g/mol. Its IUPAC name is 4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide.

Molecular Properties

Compound Name4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide
PubChem CID10061571
Molecular FormulaC6H8N2O4S3
Molecular Weight268.34 g/mol
Exact Mass267.96
IUPAC Name4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)S(=O)(=O)CCN2
InChIInChI=1S/C6H8N2O4S3/c7-15(11,12)5-3-4-6(13-5)14(9,10)2-1-8-4/h3,8H,1-2H2,(H2,7,11,12)
InChIKeyIXFWDXZFHJCFHL-UHFFFAOYSA-N
XLogP-0.41
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
The IUPAC name of 4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide (CID 10061571) is 4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide.
What is the SMILES notation for 4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
The canonical SMILES for 4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide is NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CCN2.
What is the InChIKey of 4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
The InChIKey is IXFWDXZFHJCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S3/c7-15(11,12)5-3-4-6(13-5)14(9,10)2-1-8-4/h3,8H,1-2H2,(H2,7,11,12).
What are the key properties of 4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide is sourced from PubChem (CID 10061571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).