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

C14H18N2O4S — CID 42628003

IUPACethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate
SMILESCCOC(=O)C1=CN(CC)S(=O)(=O)NC1c1ccccc1
InChIInChI=1S/C14H18N2O4S/c1-3-16-10-12(14(17)20-4-2)13(15-21(16,18)19)11-8-6-5-7-9-11/h5-10,13,15H,3-4H2,1-2H3
InChIKeyCRUWSEFXSSQWFK-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.34
Rot. Bonds4

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

ethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate (PubChem CID 42628003) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is ethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate
PubChem CID42628003
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Nameethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate
SMILESCCOC(=O)C1=CN(CC)S(=O)(=O)NC1c1ccccc1
InChIInChI=1S/C14H18N2O4S/c1-3-16-10-12(14(17)20-4-2)13(15-21(16,18)19)11-8-6-5-7-9-11/h5-10,13,15H,3-4H2,1-2H3
InChIKeyCRUWSEFXSSQWFK-UHFFFAOYSA-N
XLogP1.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
The IUPAC name of ethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate (CID 42628003) is ethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
The canonical SMILES for ethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate is CCOC(=O)C1=CN(CC)S(=O)(=O)NC1c1ccccc1.
What is the InChIKey of ethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
The InChIKey is CRUWSEFXSSQWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-3-16-10-12(14(17)20-4-2)13(15-21(16,18)19)11-8-6-5-7-9-11/h5-10,13,15H,3-4H2,1-2H3.
What are the key properties of ethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
ethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate has a molecular weight of 310.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-1,1-dioxo-3-phenyl-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate is sourced from PubChem (CID 42628003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).