3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

C8H9N3O2S — CID 10420676

IUPAC3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cnccc2N1C
InChIInChI=1S/C8H9N3O2S/c1-6-10-14(12,13)8-5-9-4-3-7(8)11(6)2/h3-5H,1-2H3
InChIKeyKFAXSDHBMRKJRY-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.64
Rot. Bonds

About 3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10420676) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10420676
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cnccc2N1C
InChIInChI=1S/C8H9N3O2S/c1-6-10-14(12,13)8-5-9-4-3-7(8)11(6)2/h3-5H,1-2H3
InChIKeyKFAXSDHBMRKJRY-UHFFFAOYSA-N
XLogP0.64
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10420676) is 3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CC1=NS(=O)(=O)c2cnccc2N1C.
What is the InChIKey of 3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is KFAXSDHBMRKJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-6-10-14(12,13)8-5-9-4-3-7(8)11(6)2/h3-5H,1-2H3.
What are the key properties of 3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 211.25 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10420676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).