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

C10H16N2O4S — CID 163635565

IUPACethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate
SMILESC=CCN1C=C(C(=O)OCC)C(C)NS1(=O)=O
InChIInChI=1S/C10H16N2O4S/c1-4-6-12-7-9(10(13)16-5-2)8(3)11-17(12,14)15/h4,7-8,11H,1,5-6H2,2-3H3
InChIKeyHZUHVCNCMZCHDA-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.16
Rot. Bonds4

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

ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate (PubChem CID 163635565) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate
PubChem CID163635565
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Nameethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate
SMILESC=CCN1C=C(C(=O)OCC)C(C)NS1(=O)=O
InChIInChI=1S/C10H16N2O4S/c1-4-6-12-7-9(10(13)16-5-2)8(3)11-17(12,14)15/h4,7-8,11H,1,5-6H2,2-3H3
InChIKeyHZUHVCNCMZCHDA-UHFFFAOYSA-N
XLogP0.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate with MolForge

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Related Compounds

ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate
CID 166710108
ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate
CID 42628002
ethyl 4-ethyl-5-methyl-1-prop-2-enylpyrrole-2-carboxylate
CID 18785620
ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate
CID 11550156
diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171479
ethyl 2-hydroxy-3-prop-2-enylbenzoate
CID 71331435
5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 22857133
ethyl 5-prop-2-enylfuran-2-carboxylate
CID 15418368
ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate
CID 146496132
diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 16738818
4-O-ethyl 1-O-prop-2-enyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
CID 10912041
ethyl 2,4-dioxo-3-prop-2-enyl-1H-quinazoline-7-carboxylate
CID 53243737

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
The IUPAC name of ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate (CID 163635565) is ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate is C=CCN1C=C(C(=O)OCC)C(C)NS1(=O)=O.
What is the InChIKey of ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
The InChIKey is HZUHVCNCMZCHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-4-6-12-7-9(10(13)16-5-2)8(3)11-17(12,14)15/h4,7-8,11H,1,5-6H2,2-3H3.
What are the key properties of ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate has a molecular weight of 260.31 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1,1-dioxo-6-prop-2-enyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate is sourced from PubChem (CID 163635565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).