ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate

C7H12N2O4S — CID 166710108

IUPACethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate
SMILESCCOC(=O)C1=CNS(=O)(=O)NC1C
InChIInChI=1S/C7H12N2O4S/c1-3-13-7(10)6-4-8-14(11,12)9-5(6)2/h4-5,8-9H,3H2,1-2H3
InChIKeyHJGPPAUHEBOVSZ-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.74
Rot. Bonds2

About ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate

ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate (PubChem CID 166710108) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate
PubChem CID166710108
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC Nameethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate
SMILESCCOC(=O)C1=CNS(=O)(=O)NC1C
InChIInChI=1S/C7H12N2O4S/c1-3-13-7(10)6-4-8-14(11,12)9-5(6)2/h4-5,8-9H,3H2,1-2H3
InChIKeyHJGPPAUHEBOVSZ-UHFFFAOYSA-N
XLogP-0.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-methoxycarbonylphenyl)-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate
CID 42628029
ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate
CID 163635565
ethyl 3-methyl-1,1-dioxo-2,3-dihydrothieno[3,2-d][1,2]thiazole-5-carboxylate
CID 170340720
ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate
CID 10891799
ethyl bicyclo[2.2.2]oct-2-ene-2-carboxylate
CID 122519867
diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171479
ethyl 1,1,3,3-tetraoxo-1,3-dithiole-4-carboxylate
CID 141390225
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
ethyl (4S)-4-(2-ethoxy-2-oxoethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92981422
diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 16738818
tetraethyl (6S,12R)-6,12-diphenyl-3,9-diazatricyclo[6.4.0.02,7]dodeca-4,10-diene-1,5,7,11-tetracarboxylate
CID 10698855
ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate
CID 10262065

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate?
The IUPAC name of ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate (CID 166710108) is ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate is CCOC(=O)C1=CNS(=O)(=O)NC1C.
What is the InChIKey of ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate?
The InChIKey is HJGPPAUHEBOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c1-3-13-7(10)6-4-8-14(11,12)9-5(6)2/h4-5,8-9H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate?
ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate has a molecular weight of 220.25 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate is sourced from PubChem (CID 166710108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).