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

C11H15ClN2OS — CID 24835390

IUPAC4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride
SMILESCCN1CC(C(N)=O)Sc2ccccc21.Cl
InChIInChI=1S/C11H14N2OS.ClH/c1-2-13-7-10(11(12)14)15-9-6-4-3-5-8(9)13;/h3-6,10H,2,7H2,1H3,(H2,12,14);1H
InChIKeyHDEZDNKCGAAMBG-UHFFFAOYSA-N
MW258.77 g/mol
LogP1.89
Rot. Bonds2

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

4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride (PubChem CID 24835390) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride
PubChem CID24835390
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride
SMILESCCN1CC(C(N)=O)Sc2ccccc21.Cl
InChIInChI=1S/C11H14N2OS.ClH/c1-2-13-7-10(11(12)14)15-9-6-4-3-5-8(9)13;/h3-6,10H,2,7H2,1H3,(H2,12,14);1H
InChIKeyHDEZDNKCGAAMBG-UHFFFAOYSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride?
The IUPAC name of 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride (CID 24835390) is 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride is CCN1CC(C(N)=O)Sc2ccccc21.Cl.
What is the InChIKey of 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride?
The InChIKey is HDEZDNKCGAAMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS.ClH/c1-2-13-7-10(11(12)14)15-9-6-4-3-5-8(9)13;/h3-6,10H,2,7H2,1H3,(H2,12,14);1H.
What are the key properties of 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride?
4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 24835390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).