2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride

C16H22ClN3O2S — CID 120598382

IUPAC2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2ccc3c(c2)NC(=O)C(C)S3)CCN1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-9-7-12(5-6-17-9)18-16(21)11-3-4-14-13(8-11)19-15(20)10(2)22-14;/h3-4,8-10,12,17H,5-7H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyJITCLTMKCLUOGB-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.41
Rot. Bonds2

About 2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride

2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride (PubChem CID 120598382) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
PubChem CID120598382
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2ccc3c(c2)NC(=O)C(C)S3)CCN1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-9-7-12(5-6-17-9)18-16(21)11-3-4-14-13(8-11)19-15(20)10(2)22-14;/h3-4,8-10,12,17H,5-7H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyJITCLTMKCLUOGB-UHFFFAOYSA-N
XLogP2.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147333
N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51163625
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119614087
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119573240
N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 120508598
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The IUPAC name of 2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride (CID 120598382) is 2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The canonical SMILES for 2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride is CC1CC(NC(=O)c2ccc3c(c2)NC(=O)C(C)S3)CCN1.Cl.
What is the InChIKey of 2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The InChIKey is JITCLTMKCLUOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-9-7-12(5-6-17-9)18-16(21)11-3-4-14-13(8-11)19-15(20)10(2)22-14;/h3-4,8-10,12,17H,5-7H2,1-2H3,(H,18,21)(H,19,20);1H.
What are the key properties of 2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 120598382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).