methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate

C12H15NO2S — CID 140990900

IUPACmethyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate
SMILESCCc1cc2c(cc1C(=O)OC)SCCN2
InChIInChI=1S/C12H15NO2S/c1-3-8-6-10-11(16-5-4-13-10)7-9(8)12(14)15-2/h6-7,13H,3-5H2,1-2H3
InChIKeyRNOQLUAIEIKDPM-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.55
Rot. Bonds2

About methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate

methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate (PubChem CID 140990900) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate
PubChem CID140990900
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Namemethyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate
SMILESCCc1cc2c(cc1C(=O)OC)SCCN2
InChIInChI=1S/C12H15NO2S/c1-3-8-6-10-11(16-5-4-13-10)7-9(8)12(14)15-2/h6-7,13H,3-5H2,1-2H3
InChIKeyRNOQLUAIEIKDPM-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate
CID 91827961
methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-6-carboxylate
CID 123134991
methyl 6-ethyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate
CID 19354987
methyl 6-ethyl-1,1,3-trioxo-1λ6,4-benzodithiine-7-carboxylate
CID 19354741
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid
CID 11389961
methyl 4-hydroxy-6-methyl-3,4-dihydro-2H-thiochromene-7-carboxylate
CID 20824497
methyl 2-ethyl-4-(3-hydroxypropyl)benzoate
CID 146627356
methyl 5-chloro-4-cyano-2-ethylbenzoate
CID 134613450
methyl 2-ethyl-5-methylsulfanylbenzoate
CID 91880894
(4-ethyl-3-methoxycarbonylphenyl)-oxoazanium
CID 170760992
methyl 5-methyl-2,3-dihydro-1,4-benzodithiine-6-carboxylate
CID 18432367

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate?
The IUPAC name of methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate (CID 140990900) is methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate.
What is the SMILES notation for methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate?
The canonical SMILES for methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate is CCc1cc2c(cc1C(=O)OC)SCCN2.
What is the InChIKey of methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate?
The InChIKey is RNOQLUAIEIKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-3-8-6-10-11(16-5-4-13-10)7-9(8)12(14)15-2/h6-7,13H,3-5H2,1-2H3.
What are the key properties of methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate?
methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate has a molecular weight of 237.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate is sourced from PubChem (CID 140990900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).