2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide

C19H27N3O2S — CID 53326053

IUPAC2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide
SMILESCC1Sc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)ccc2NC1=O
InChIInChI=1S/C19H27N3O2S/c1-11-16(23)21-14-7-6-12(8-15(14)25-11)17(24)20-13-9-18(2,3)22-19(4,5)10-13/h6-8,11,13,22H,9-10H2,1-5H3,(H,20,24)(H,21,23)
InChIKeyOIMBGIKORVUTLW-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.16
Rot. Bonds2

About 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide

2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide (PubChem CID 53326053) 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-7-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide
PubChem CID53326053
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-7-carboxamide
SMILESCC1Sc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)ccc2NC1=O
InChIInChI=1S/C19H27N3O2S/c1-11-16(23)21-14-7-6-12(8-15(14)25-11)17(24)20-13-9-18(2,3)22-19(4,5)10-13/h6-8,11,13,22H,9-10H2,1-5H3,(H,20,24)(H,21,23)
InChIKeyOIMBGIKORVUTLW-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-7-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide (CID 53326053) is 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide is CC1Sc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)ccc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide?
The InChIKey is OIMBGIKORVUTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-11-16(23)21-14-7-6-12(8-15(14)25-11)17(24)20-13-9-18(2,3)22-19(4,5)10-13/h6-8,11,13,22H,9-10H2,1-5H3,(H,20,24)(H,21,23).
What are the key properties of 2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide?
2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-7-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.16, 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-7-carboxamide is sourced from PubChem (CID 53326053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).