methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate

C10H10N2O4S2 — CID 17096177

IUPACmethyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate
SMILESCOC(=O)C1=CC(c2cccs2)=NS(=O)(=O)N1C
InChIInChI=1S/C10H10N2O4S2/c1-12-8(10(13)16-2)6-7(11-18(12,14)15)9-4-3-5-17-9/h3-6H,1-2H3
InChIKeyXSQXELXLIIEEPQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.78
Rot. Bonds2

About methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate

methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate (PubChem CID 17096177) has the molecular formula C10H10N2O4S2 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate
PubChem CID17096177
Molecular FormulaC10H10N2O4S2
Molecular Weight286.33 g/mol
Exact Mass286.01
IUPAC Namemethyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate
SMILESCOC(=O)C1=CC(c2cccs2)=NS(=O)(=O)N1C
InChIInChI=1S/C10H10N2O4S2/c1-12-8(10(13)16-2)6-7(11-18(12,14)15)9-4-3-5-17-9/h3-6H,1-2H3
InChIKeyXSQXELXLIIEEPQ-UHFFFAOYSA-N
XLogP0.78
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate?
The IUPAC name of methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate (CID 17096177) is methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate is COC(=O)C1=CC(c2cccs2)=NS(=O)(=O)N1C.
What is the InChIKey of methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate?
The InChIKey is XSQXELXLIIEEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S2/c1-12-8(10(13)16-2)6-7(11-18(12,14)15)9-4-3-5-17-9/h3-6H,1-2H3.
What are the key properties of methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate?
methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate is sourced from PubChem (CID 17096177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).