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

C10H13N3O2S — CID 67644801

IUPAC3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCCCC1=NS(=O)(=O)c2cnccc2N1
InChIInChI=1S/C10H13N3O2S/c1-2-3-4-10-12-8-5-6-11-7-9(8)16(14,15)13-10/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyIXMPDTOXSCEAOS-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.78
Rot. Bonds3

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

3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 67644801) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID67644801
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCCCC1=NS(=O)(=O)c2cnccc2N1
InChIInChI=1S/C10H13N3O2S/c1-2-3-4-10-12-8-5-6-11-7-9(8)16(14,15)13-10/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyIXMPDTOXSCEAOS-UHFFFAOYSA-N
XLogP1.78
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 67644801) is 3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CCCCC1=NS(=O)(=O)c2cnccc2N1.
What is the InChIKey of 3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is IXMPDTOXSCEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-2-3-4-10-12-8-5-6-11-7-9(8)16(14,15)13-10/h5-7H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 239.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 67644801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).