ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride

C13H18ClNO2S — CID 24835391

IUPACethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CN(CC)c2ccccc2S1.Cl
InChIInChI=1S/C13H17NO2S.ClH/c1-3-14-9-12(13(15)16-4-2)17-11-8-6-5-7-10(11)14;/h5-8,12H,3-4,9H2,1-2H3;1H
InChIKeyRWRJVTTUNUHIIW-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.97
Rot. Bonds3

About ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride

ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride (PubChem CID 24835391) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride
PubChem CID24835391
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Nameethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CN(CC)c2ccccc2S1.Cl
InChIInChI=1S/C13H17NO2S.ClH/c1-3-14-9-12(13(15)16-4-2)17-11-8-6-5-7-10(11)14;/h5-8,12H,3-4,9H2,1-2H3;1H
InChIKeyRWRJVTTUNUHIIW-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride (CID 24835391) is ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride is CCOC(=O)C1CN(CC)c2ccccc2S1.Cl.
What is the InChIKey of ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride?
The InChIKey is RWRJVTTUNUHIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S.ClH/c1-3-14-9-12(13(15)16-4-2)17-11-8-6-5-7-10(11)14;/h5-8,12H,3-4,9H2,1-2H3;1H.
What are the key properties of ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride?
ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride has a molecular weight of 287.81 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 24835391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).