methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate

C8H9N3O4S — CID 711232

IUPACmethyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate
SMILESCOC(=O)C1=NC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C8H9N3O4S/c1-15-8(12)6-7-10-16(13,14)5-4-11(7)3-2-9-6/h2-3H,4-5H2,1H3
InChIKeyLSSANXLIRGPDIJ-UHFFFAOYSA-N
MW243.24 g/mol
LogP-0.87
Rot. Bonds1

About methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate

methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate (PubChem CID 711232) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate
PubChem CID711232
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Namemethyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate
SMILESCOC(=O)C1=NC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C8H9N3O4S/c1-15-8(12)6-7-10-16(13,14)5-4-11(7)3-2-9-6/h2-3H,4-5H2,1H3
InChIKeyLSSANXLIRGPDIJ-UHFFFAOYSA-N
XLogP-0.87
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate?
The IUPAC name of methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate (CID 711232) is methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate.
What is the SMILES notation for methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate?
The canonical SMILES for methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate is COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate?
The InChIKey is LSSANXLIRGPDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c1-15-8(12)6-7-10-16(13,14)5-4-11(7)3-2-9-6/h2-3H,4-5H2,1H3.
What are the key properties of methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate?
methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate has a molecular weight of 243.24 g/mol, XLogP of -0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dioxo-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine-9-carboxylate is sourced from PubChem (CID 711232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).