methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate

C15H19N3O5S — CID 22397175

IUPACmethyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate
SMILESCOC(=O)C1=NN(C)c2ccc(CN3CCOCC3)cc2S1(=O)=O
InChIInChI=1S/C15H19N3O5S/c1-17-12-4-3-11(10-18-5-7-23-8-6-18)9-13(12)24(20,21)14(16-17)15(19)22-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyBVDSGLROYKFWOU-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.23
Rot. Bonds3

About methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate

methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate (PubChem CID 22397175) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate
PubChem CID22397175
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Namemethyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate
SMILESCOC(=O)C1=NN(C)c2ccc(CN3CCOCC3)cc2S1(=O)=O
InChIInChI=1S/C15H19N3O5S/c1-17-12-4-3-11(10-18-5-7-23-8-6-18)9-13(12)24(20,21)14(16-17)15(19)22-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyBVDSGLROYKFWOU-UHFFFAOYSA-N
XLogP0.23
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate with MolForge

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Related Compounds

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methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate
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2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
methyl 2-methoxy-5-(morpholin-4-ylmethyl)pyridine-3-carboxylate
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dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 9045335
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide
CID 70845924
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
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methyl 4-amino-3-(morpholin-4-ylmethyl)benzoate
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2-methyl-N-(1-methylpiperidin-4-yl)-5-(morpholin-4-ylmethyl)benzamide
CID 70846032

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate?
The IUPAC name of methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate (CID 22397175) is methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate is COC(=O)C1=NN(C)c2ccc(CN3CCOCC3)cc2S1(=O)=O.
What is the InChIKey of methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate?
The InChIKey is BVDSGLROYKFWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-17-12-4-3-11(10-18-5-7-23-8-6-18)9-13(12)24(20,21)14(16-17)15(19)22-2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate?
methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-(morpholin-4-ylmethyl)-4,4-dioxo-4λ6,1,2-benzothiadiazine-3-carboxylate is sourced from PubChem (CID 22397175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).