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

C9H11N3O2S — CID 10775568

IUPAC3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCCC1=NS(=O)(=O)c2cnccc2N1
InChIInChI=1S/C9H11N3O2S/c1-2-3-9-11-7-4-5-10-6-8(7)15(13,14)12-9/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyVPAMYNNPNHWZRI-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.39
Rot. Bonds2

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

3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10775568) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10775568
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCCC1=NS(=O)(=O)c2cnccc2N1
InChIInChI=1S/C9H11N3O2S/c1-2-3-9-11-7-4-5-10-6-8(7)15(13,14)12-9/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyVPAMYNNPNHWZRI-UHFFFAOYSA-N
XLogP1.39
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10775568) is 3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CCCC1=NS(=O)(=O)c2cnccc2N1.
What is the InChIKey of 3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is VPAMYNNPNHWZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-2-3-9-11-7-4-5-10-6-8(7)15(13,14)12-9/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 225.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10775568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).