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

C10H15N3O2S — CID 10681576

IUPAC4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCCCN1CNS(=O)(=O)c2cnccc21
InChIInChI=1S/C10H15N3O2S/c1-2-3-6-13-8-12-16(14,15)10-7-11-5-4-9(10)13/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyGRQFPHLGRKLGII-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.94
Rot. Bonds3

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

4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10681576) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10681576
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCCCN1CNS(=O)(=O)c2cnccc21
InChIInChI=1S/C10H15N3O2S/c1-2-3-6-13-8-12-16(14,15)10-7-11-5-4-9(10)13/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyGRQFPHLGRKLGII-UHFFFAOYSA-N
XLogP0.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-butyl-2,3-dihydropyrido[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 4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10681576) is 4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CCCCN1CNS(=O)(=O)c2cnccc21.
What is the InChIKey of 4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is GRQFPHLGRKLGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-3-6-13-8-12-16(14,15)10-7-11-5-4-9(10)13/h4-5,7,12H,2-3,6,8H2,1H3.
What are the key properties of 4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 241.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10681576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).