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

C16H21N3O2S — CID 75770012

IUPAC2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCN1CCC(NC(=O)C2(C)Sc3ccccc3NC2=O)CC1
InChIInChI=1S/C16H21N3O2S/c1-16(14(20)17-11-7-9-19(2)10-8-11)15(21)18-12-5-3-4-6-13(12)22-16/h3-6,11H,7-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyDRGYAMLMBXLPPG-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.70
Rot. Bonds2

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

2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75770012) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75770012
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCN1CCC(NC(=O)C2(C)Sc3ccccc3NC2=O)CC1
InChIInChI=1S/C16H21N3O2S/c1-16(14(20)17-11-7-9-19(2)10-8-11)15(21)18-12-5-3-4-6-13(12)22-16/h3-6,11H,7-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyDRGYAMLMBXLPPG-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 75797091
2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56686453
N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686333
N-(1-methylpiperidin-4-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 30837864
2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide
CID 75767660
2-methyl-3-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 56686314
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769184
4-[(2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl)amino]butanoic acid
CID 75796903
2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide
CID 75770004
N-(1,1-dioxothiolan-3-yl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767846
N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 110273886
2-methyl-3-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 75797009

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide (CID 75770012) is 2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide is CN1CCC(NC(=O)C2(C)Sc3ccccc3NC2=O)CC1.
What is the InChIKey of 2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is DRGYAMLMBXLPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-16(14(20)17-11-7-9-19(2)10-8-11)15(21)18-12-5-3-4-6-13(12)22-16/h3-6,11H,7-10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75770012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).