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

C12H11N3O2S — CID 10730127

IUPAC2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)c2cnccc2NCN1c1ccccc1
InChIInChI=1S/C12H11N3O2S/c16-18(17)12-8-13-7-6-11(12)14-9-15(18)10-4-2-1-3-5-10/h1-8,14H,9H2
InChIKeyVEMJTRACHCEIFV-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.66
Rot. Bonds1

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

2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10730127) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10730127
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)c2cnccc2NCN1c1ccccc1
InChIInChI=1S/C12H11N3O2S/c16-18(17)12-8-13-7-6-11(12)14-9-15(18)10-4-2-1-3-5-10/h1-8,14H,9H2
InChIKeyVEMJTRACHCEIFV-UHFFFAOYSA-N
XLogP1.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10730127) is 2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is O=S1(=O)c2cnccc2NCN1c1ccccc1.
What is the InChIKey of 2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is VEMJTRACHCEIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-18(17)12-8-13-7-6-11(12)14-9-15(18)10-4-2-1-3-5-10/h1-8,14H,9H2.
What are the key properties of 2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 261.31 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10730127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).