ethyl 2H-1,4-benzothiazine-2-carboxylate

C11H11NO2S — CID 91457876

IUPACethyl 2H-1,4-benzothiazine-2-carboxylate
SMILESCCOC(=O)C1C=Nc2ccccc2S1
InChIInChI=1S/C11H11NO2S/c1-2-14-11(13)10-7-12-8-5-3-4-6-9(8)15-10/h3-7,10H,2H2,1H3
InChIKeyZDCOHVLZZRHRPT-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.43
Rot. Bonds2

About ethyl 2H-1,4-benzothiazine-2-carboxylate

ethyl 2H-1,4-benzothiazine-2-carboxylate (PubChem CID 91457876) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is ethyl 2H-1,4-benzothiazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2H-1,4-benzothiazine-2-carboxylate
PubChem CID91457876
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Nameethyl 2H-1,4-benzothiazine-2-carboxylate
SMILESCCOC(=O)C1C=Nc2ccccc2S1
InChIInChI=1S/C11H11NO2S/c1-2-14-11(13)10-7-12-8-5-3-4-6-9(8)15-10/h3-7,10H,2H2,1H3
InChIKeyZDCOHVLZZRHRPT-UHFFFAOYSA-N
XLogP2.43
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2H-1,4-benzothiazine-2-carboxylate?
The IUPAC name of ethyl 2H-1,4-benzothiazine-2-carboxylate (CID 91457876) is ethyl 2H-1,4-benzothiazine-2-carboxylate.
What is the SMILES notation for ethyl 2H-1,4-benzothiazine-2-carboxylate?
The canonical SMILES for ethyl 2H-1,4-benzothiazine-2-carboxylate is CCOC(=O)C1C=Nc2ccccc2S1.
What is the InChIKey of ethyl 2H-1,4-benzothiazine-2-carboxylate?
The InChIKey is ZDCOHVLZZRHRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-2-14-11(13)10-7-12-8-5-3-4-6-9(8)15-10/h3-7,10H,2H2,1H3.
What are the key properties of ethyl 2H-1,4-benzothiazine-2-carboxylate?
ethyl 2H-1,4-benzothiazine-2-carboxylate has a molecular weight of 221.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-1,4-benzothiazine-2-carboxylate is sourced from PubChem (CID 91457876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).