methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate

C14H16N2O4S — CID 3236402

IUPACmethyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2
InChIInChI=1S/C14H16N2O4S/c1-19-14(18)9-2-3-11-10(8-9)15-12(17)13(21-11)16-4-6-20-7-5-16/h2-3,8,13H,4-7H2,1H3,(H,15,17)
InChIKeyNEMXFARBHTWPOE-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.18
Rot. Bonds2

About methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate

methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate (PubChem CID 3236402) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate
PubChem CID3236402
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namemethyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2
InChIInChI=1S/C14H16N2O4S/c1-19-14(18)9-2-3-11-10(8-9)15-12(17)13(21-11)16-4-6-20-7-5-16/h2-3,8,13H,4-7H2,1H3,(H,15,17)
InChIKeyNEMXFARBHTWPOE-UHFFFAOYSA-N
XLogP1.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 699501
[2-Oxo-2-(2-phenylsulfanylanilino)ethyl] 3-(dimethylamino)benzoate
CID 2079073
N-{3-[butyl(methyl)amino]propyl}-2-morpholin-4-yl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 3237214
2-morpholin-4-yl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 3240039
methyl 3-oxo-2-piperidin-1-yl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 3240502
3-oxo-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxylic acid
CID 3240735
methyl 3-oxo-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxylate
CID 3242193
Methyl 2-(dipropylamino)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 4083996
N-(4-methylbenzyl)-2-morpholin-4-yl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5054274
ethyl 2-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 5086038
Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 2767715
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 4877405

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The IUPAC name of methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate (CID 3236402) is methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate.
What is the SMILES notation for methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The canonical SMILES for methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2.
What is the InChIKey of methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The InChIKey is NEMXFARBHTWPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-19-14(18)9-2-3-11-10(8-9)15-12(17)13(21-11)16-4-6-20-7-5-16/h2-3,8,13H,4-7H2,1H3,(H,15,17).
What are the key properties of methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate?
methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate has a molecular weight of 308.36 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate is sourced from PubChem (CID 3236402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).