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

C18H20N2O4S — CID 42628002

IUPACethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate
SMILESCCOC(=O)C1=CN(CC)S(=O)(=O)NC1c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O4S/c1-3-20-12-16(18(21)24-4-2)17(19-25(20,22)23)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,17,19H,3-4H2,1-2H3
InChIKeyDZKZWHOSZVETMA-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.50
Rot. Bonds4

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

ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate (PubChem CID 42628002) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate
PubChem CID42628002
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Nameethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate
SMILESCCOC(=O)C1=CN(CC)S(=O)(=O)NC1c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O4S/c1-3-20-12-16(18(21)24-4-2)17(19-25(20,22)23)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,17,19H,3-4H2,1-2H3
InChIKeyDZKZWHOSZVETMA-UHFFFAOYSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
The IUPAC name of ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate (CID 42628002) is ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
The canonical SMILES for ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate is CCOC(=O)C1=CN(CC)S(=O)(=O)NC1c1ccc2ccccc2c1.
What is the InChIKey of ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
The InChIKey is DZKZWHOSZVETMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-20-12-16(18(21)24-4-2)17(19-25(20,22)23)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,17,19H,3-4H2,1-2H3.
What are the key properties of ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate?
ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate has a molecular weight of 360.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-3-naphthalen-2-yl-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylate is sourced from PubChem (CID 42628002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).