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

C8H11N3O2S — CID 10608635

IUPAC4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2cnccc21
InChIInChI=1S/C8H11N3O2S/c1-2-11-6-10-14(12,13)8-5-9-4-3-7(8)11/h3-5,10H,2,6H2,1H3
InChIKeyQAUSQKIKGJNUAS-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.16
Rot. Bonds1

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

4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10608635) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10608635
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCN1CNS(=O)(=O)c2cnccc21
InChIInChI=1S/C8H11N3O2S/c1-2-11-6-10-14(12,13)8-5-9-4-3-7(8)11/h3-5,10H,2,6H2,1H3
InChIKeyQAUSQKIKGJNUAS-UHFFFAOYSA-N
XLogP0.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10608635) is 4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CCN1CNS(=O)(=O)c2cnccc21.
What is the InChIKey of 4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is QAUSQKIKGJNUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-2-11-6-10-14(12,13)8-5-9-4-3-7(8)11/h3-5,10H,2,6H2,1H3.
What are the key properties of 4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 213.26 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10608635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).