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

C19H27N3O2S — CID 75797091

IUPAC2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C)CC(NC(=O)C2(C)Sc3ccccc3NC2=O)CC(C)(C)N1
InChIInChI=1S/C19H27N3O2S/c1-17(2)10-12(11-18(3,4)22-17)20-15(23)19(5)16(24)21-13-8-6-7-9-14(13)25-19/h6-9,12,22H,10-11H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyGHGCWMZTPHDPQZ-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.91
Rot. Bonds2

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

2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75797091) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75797091
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C)CC(NC(=O)C2(C)Sc3ccccc3NC2=O)CC(C)(C)N1
InChIInChI=1S/C19H27N3O2S/c1-17(2)10-12(11-18(3,4)22-17)20-15(23)19(5)16(24)21-13-8-6-7-9-14(13)25-19/h6-9,12,22H,10-11H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyGHGCWMZTPHDPQZ-UHFFFAOYSA-N
XLogP2.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide (CID 75797091) is 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide is CC1(C)CC(NC(=O)C2(C)Sc3ccccc3NC2=O)CC(C)(C)N1.
What is the InChIKey of 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is GHGCWMZTPHDPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-17(2)10-12(11-18(3,4)22-17)20-15(23)19(5)16(24)21-13-8-6-7-9-14(13)25-19/h6-9,12,22H,10-11H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide?
2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75797091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).