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

C12H11N3O2S — CID 10515551

IUPAC3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)NC(c2ccccc2)Nc2ccncc21
InChIInChI=1S/C12H11N3O2S/c16-18(17)11-8-13-7-6-10(11)14-12(15-18)9-4-2-1-3-5-9/h1-8,12,14-15H
InChIKeyATYOTTJYRMOBJX-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.48
Rot. Bonds1

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

3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10515551) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10515551
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)NC(c2ccccc2)Nc2ccncc21
InChIInChI=1S/C12H11N3O2S/c16-18(17)11-8-13-7-6-10(11)14-12(15-18)9-4-2-1-3-5-9/h1-8,12,14-15H
InChIKeyATYOTTJYRMOBJX-UHFFFAOYSA-N
XLogP1.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10515551) is 3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is O=S1(=O)NC(c2ccccc2)Nc2ccncc21.
What is the InChIKey of 3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is ATYOTTJYRMOBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-18(17)11-8-13-7-6-10(11)14-12(15-18)9-4-2-1-3-5-9/h1-8,12,14-15H.
What are the key properties of 3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 261.31 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10515551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).