ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate

C11H11NO3S — CID 4219195

IUPACethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H11NO3S/c1-2-15-11(14)7-3-4-9-8(5-7)12-10(13)6-16-9/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyANIBMWZLVBRBFZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.91
Rot. Bonds2

About ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate

ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate (PubChem CID 4219195) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
PubChem CID4219195
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Nameethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H11NO3S/c1-2-15-11(14)7-3-4-9-8(5-7)12-10(13)6-16-9/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyANIBMWZLVBRBFZ-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-oxo-4H-1,4-benzothiazine-6-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-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 699501
2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
CID 3507590
3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
CID 760993
Methyl 3-{[(benzylsulfanyl)acetyl]amino}benzoate
CID 685912
4-((4-Methylphenyl)thio)-3-((1-oxobutyl)amino)benzoic acid
CID 5085666
4-[(4-Methylphenyl)thio]-3-(propionylamino)benzoic acid
CID 5085669
2-(2-Phenylsulfanyl-acetylamino)-benzoic acid ethyl ester
CID 846473
Methyl 2-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzoate
CID 904035
4-(Propylsulfonyl)benzyl 3-(isobutyrylamino)benzoate
CID 2215875
3-(2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamido)benzoic acid
CID 2876008
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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The IUPAC name of ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate (CID 4219195) is ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate.
What is the SMILES notation for ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The canonical SMILES for ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate is CCOC(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The InChIKey is ANIBMWZLVBRBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-2-15-11(14)7-3-4-9-8(5-7)12-10(13)6-16-9/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate is sourced from PubChem (CID 4219195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).