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

C6H8N2O2S3 — CID 10220331

IUPAC2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)SCCN2
InChIInChI=1S/C6H8N2O2S3/c7-13(9,10)5-3-4-6(12-5)11-2-1-8-4/h3,8H,1-2H2,(H2,7,9,10)
InChIKeyDXRDMSSYOFRAOX-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.91
Rot. Bonds1

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

2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide (PubChem CID 10220331) has the molecular formula C6H8N2O2S3 and a molecular weight of 236.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide.

Molecular Properties

Compound Name2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide
PubChem CID10220331
Molecular FormulaC6H8N2O2S3
Molecular Weight236.34 g/mol
Exact Mass235.97
IUPAC Name2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)SCCN2
InChIInChI=1S/C6H8N2O2S3/c7-13(9,10)5-3-4-6(12-5)11-2-1-8-4/h3,8H,1-2H2,(H2,7,9,10)
InChIKeyDXRDMSSYOFRAOX-UHFFFAOYSA-N
XLogP0.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
The IUPAC name of 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide (CID 10220331) is 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide.
What is the SMILES notation for 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
The canonical SMILES for 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide is NS(=O)(=O)c1cc2c(s1)SCCN2.
What is the InChIKey of 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
The InChIKey is DXRDMSSYOFRAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S3/c7-13(9,10)5-3-4-6(12-5)11-2-1-8-4/h3,8H,1-2H2,(H2,7,9,10).
What are the key properties of 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide?
2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-sulfonamide is sourced from PubChem (CID 10220331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).