3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

C8H9N3O2S — CID 10798543

IUPAC3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCC1=NS(=O)(=O)c2cnccc2N1
InChIInChI=1S/C8H9N3O2S/c1-2-8-10-6-3-4-9-5-7(6)14(12,13)11-8/h3-5H,2H2,1H3,(H,10,11)
InChIKeyGXNOMFYVHCJGLV-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.00
Rot. Bonds1

About 3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10798543) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10798543
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCC1=NS(=O)(=O)c2cnccc2N1
InChIInChI=1S/C8H9N3O2S/c1-2-8-10-6-3-4-9-5-7(6)14(12,13)11-8/h3-5H,2H2,1H3,(H,10,11)
InChIKeyGXNOMFYVHCJGLV-UHFFFAOYSA-N
XLogP1.00
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10798543) is 3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CCC1=NS(=O)(=O)c2cnccc2N1.
What is the InChIKey of 3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is GXNOMFYVHCJGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-2-8-10-6-3-4-9-5-7(6)14(12,13)11-8/h3-5H,2H2,1H3,(H,10,11).
What are the key properties of 3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 211.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10798543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).