3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride

C15H20ClN3O2S — CID 119533362

IUPAC3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
SMILESCl.O=C1CSc2ccc(C(=O)NCCC3CCNC3)cc2N1
InChIInChI=1S/C15H19N3O2S.ClH/c19-14-9-21-13-2-1-11(7-12(13)18-14)15(20)17-6-4-10-3-5-16-8-10;/h1-2,7,10,16H,3-6,8-9H2,(H,17,20)(H,18,19);1H
InChIKeyYGXAZWKJEDPJML-UHFFFAOYSA-N
MW341.86 g/mol
LogP1.88
Rot. Bonds4

About 3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride

3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride (PubChem CID 119533362) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
PubChem CID119533362
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
SMILESCl.O=C1CSc2ccc(C(=O)NCCC3CCNC3)cc2N1
InChIInChI=1S/C15H19N3O2S.ClH/c19-14-9-21-13-2-1-11(7-12(13)18-14)15(20)17-6-4-10-3-5-16-8-10;/h1-2,7,10,16H,3-6,8-9H2,(H,17,20)(H,18,19);1H
InChIKeyYGXAZWKJEDPJML-UHFFFAOYSA-N
XLogP1.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride 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

3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119554967
2-oxo-N-(2-pyrrolidin-3-ylethyl)-1,3-dihydroindole-5-carboxamide
CID 102711522
N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712276
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
3-oxo-N-(2-piperazin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119444793
N-[2-(cycloheptylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119619160
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 119555122
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The IUPAC name of 3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride (CID 119533362) is 3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride.
What is the SMILES notation for 3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The canonical SMILES for 3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride is Cl.O=C1CSc2ccc(C(=O)NCCC3CCNC3)cc2N1.
What is the InChIKey of 3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The InChIKey is YGXAZWKJEDPJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c19-14-9-21-13-2-1-11(7-12(13)18-14)15(20)17-6-4-10-3-5-16-8-10;/h1-2,7,10,16H,3-6,8-9H2,(H,17,20)(H,18,19);1H.
What are the key properties of 3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 119533362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).