ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate

C8H16N2O4S — CID 51002694

IUPACethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate
SMILESCCOC(=O)CN1CCC(C)NS1(=O)=O
InChIInChI=1S/C8H16N2O4S/c1-3-14-8(11)6-10-5-4-7(2)9-15(10,12)13/h7,9H,3-6H2,1-2H3
InChIKeyVIEGNOZOXWJXRB-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.52
Rot. Bonds3

About ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate

ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate (PubChem CID 51002694) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate
PubChem CID51002694
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Nameethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate
SMILESCCOC(=O)CN1CCC(C)NS1(=O)=O
InChIInChI=1S/C8H16N2O4S/c1-3-14-8(11)6-10-5-4-7(2)9-15(10,12)13/h7,9H,3-6H2,1-2H3
InChIKeyVIEGNOZOXWJXRB-UHFFFAOYSA-N
XLogP-0.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate?
The IUPAC name of ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate (CID 51002694) is ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate is CCOC(=O)CN1CCC(C)NS1(=O)=O.
What is the InChIKey of ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate?
The InChIKey is VIEGNOZOXWJXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-3-14-8(11)6-10-5-4-7(2)9-15(10,12)13/h7,9H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate?
ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate has a molecular weight of 236.29 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetate is sourced from PubChem (CID 51002694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).