3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

C14H13N3O2S — CID 53015141

IUPAC3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCC1=NS(=O)(=O)c2cccnc2N1c1ccccc1
InChIInChI=1S/C14H13N3O2S/c1-2-13-16-20(18,19)12-9-6-10-15-14(12)17(13)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyLIYKIHMSZOMEMI-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.73
Rot. Bonds2

About 3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 53015141) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID53015141
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCC1=NS(=O)(=O)c2cccnc2N1c1ccccc1
InChIInChI=1S/C14H13N3O2S/c1-2-13-16-20(18,19)12-9-6-10-15-14(12)17(13)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyLIYKIHMSZOMEMI-UHFFFAOYSA-N
XLogP2.73
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfapyridine
CID 5336
Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Silver, [4-amino-N-(2-pyrimidinyl-kappaN1)benzenesulfonamidato-kappaO]-
CID 5459124
Sulfadiazine Sodium
CID 15899898
Acetylsulfapyridine
CID 58638
Silver(1+) [(4-aminophenyl)sulfonyl](pyrimidin-2-yl)azanide
CID 452254
1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
Sulfapyridine Sodium
CID 23667654
6-Aminopyridine-3-sulfonamide
CID 459534
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 53015141) is 3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is CCC1=NS(=O)(=O)c2cccnc2N1c1ccccc1.
What is the InChIKey of 3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is LIYKIHMSZOMEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-2-13-16-20(18,19)12-9-6-10-15-14(12)17(13)11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of 3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 287.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-phenylpyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 53015141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).