methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate

C10H10N2O5S — CID 54763506

IUPACmethyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)S(=O)(=O)N=C(OC)N2
InChIInChI=1S/C10H10N2O5S/c1-16-9(13)6-3-4-7-8(5-6)18(14,15)12-10(11-7)17-2/h3-5H,1-2H3,(H,11,12)
InChIKeyIIQMFKLDJLJIEL-UHFFFAOYSA-N
MW270.27 g/mol
LogP0.59
Rot. Bonds1

About methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate

methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate (PubChem CID 54763506) has the molecular formula C10H10N2O5S and a molecular weight of 270.27 g/mol. Its IUPAC name is methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate
PubChem CID54763506
Molecular FormulaC10H10N2O5S
Molecular Weight270.27 g/mol
Exact Mass270.03
IUPAC Namemethyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)S(=O)(=O)N=C(OC)N2
InChIInChI=1S/C10H10N2O5S/c1-16-9(13)6-3-4-7-8(5-6)18(14,15)12-10(11-7)17-2/h3-5H,1-2H3,(H,11,12)
InChIKeyIIQMFKLDJLJIEL-UHFFFAOYSA-N
XLogP0.59
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-chloro-1,1-dioxo-1,2-benzothiazole-6-carboxylate
CID 24699195
methyl 3-amino-1,1-dioxo-1,2-benzothiazole-6-carboxylate
CID 24693634
methyl 6,11,11-trioxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate
CID 13013925
methyl 3-methyl-1,1,4-trioxo-3,5-dihydro-2H-1λ6,5-benzothiazepine-8-carboxylate
CID 115098796
methyl 3-[4-(1,3-oxazol-2-yl)-4-phenylbutanoyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate
CID 163418990
methyl 5,5-dioxo-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine-7-carboxylate
CID 54763507
methyl 1,1,3-trioxo-1,2-benzothiazole-6-carboxylate
CID 5062203
methyl 4-[[2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 18580017
methyl 1,1-dioxospiro[4,5-dihydro-2H-1λ6,5-benzothiazepine-3,1'-cyclopropane]-7-carboxylate
CID 115098955
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate
CID 59474018
methyl 1,2-dihydroquinoline-6-carboxylate
CID 141126799

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate?
The IUPAC name of methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate (CID 54763506) is methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate.
What is the SMILES notation for methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate?
The canonical SMILES for methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate is COC(=O)c1ccc2c(c1)S(=O)(=O)N=C(OC)N2.
What is the InChIKey of methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate?
The InChIKey is IIQMFKLDJLJIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S/c1-16-9(13)6-3-4-7-8(5-6)18(14,15)12-10(11-7)17-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate?
methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate has a molecular weight of 270.27 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-carboxylate is sourced from PubChem (CID 54763506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).