methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate

C11H13NO2S — CID 5309286

IUPACmethyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(C)CCS2
InChIInChI=1S/C11H13NO2S/c1-12-5-6-15-10-4-3-8(7-9(10)12)11(13)14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyIQNAPJUAVHYVQC-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.02
Rot. Bonds1

About methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate

methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate (PubChem CID 5309286) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate
PubChem CID5309286
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Namemethyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(C)CCS2
InChIInChI=1S/C11H13NO2S/c1-12-5-6-15-10-4-3-8(7-9(10)12)11(13)14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyIQNAPJUAVHYVQC-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate?
The IUPAC name of methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate (CID 5309286) is methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate.
What is the SMILES notation for methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate?
The canonical SMILES for methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate is COC(=O)c1ccc2c(c1)N(C)CCS2.
What is the InChIKey of methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate?
The InChIKey is IQNAPJUAVHYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-12-5-6-15-10-4-3-8(7-9(10)12)11(13)14-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate?
methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate has a molecular weight of 223.30 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylate is sourced from PubChem (CID 5309286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).