5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid

C14H16N2O6S — CID 159261165

IUPAC5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid
SMILESCCN1C(C(=O)O)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O
InChIInChI=1S/C14H16N2O6S/c1-4-16-11(14(17)18)8-10(15-23(16,19)20)9-5-6-12(21-2)13(7-9)22-3/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyKWNIDEWPHUEAOB-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.04
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid

5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid (PubChem CID 159261165) has the molecular formula C14H16N2O6S and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid
PubChem CID159261165
Molecular FormulaC14H16N2O6S
Molecular Weight340.36 g/mol
Exact Mass340.07
IUPAC Name5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid
SMILESCCN1C(C(=O)O)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O
InChIInChI=1S/C14H16N2O6S/c1-4-16-11(14(17)18)8-10(15-23(16,19)20)9-5-6-12(21-2)13(7-9)22-3/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyKWNIDEWPHUEAOB-UHFFFAOYSA-N
XLogP1.04
TPSA105.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-ethyl-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 156755406
5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253759
2-(cyclopropylmethyl)-5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 160957019
5-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515237
2-(cyclopropylmethyl)-5-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 158638522
N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515239
5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253725
(4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 6625740
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17253796
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762
3-[4-(3,4-dimethoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887229

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid (CID 159261165) is 5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid is CCN1C(C(=O)O)=CC(c2ccc(OC)c(OC)c2)=NS1(=O)=O.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid?
The InChIKey is KWNIDEWPHUEAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6S/c1-4-16-11(14(17)18)8-10(15-23(16,19)20)9-5-6-12(21-2)13(7-9)22-3/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid?
5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid has a molecular weight of 340.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid is sourced from PubChem (CID 159261165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).