2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one

C15H18N2OS — CID 59485297

IUPAC2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one
SMILESCC1CCCC(C)N1c1nc(=O)c2ccccc2s1
InChIInChI=1S/C15H18N2OS/c1-10-6-5-7-11(2)17(10)15-16-14(18)12-8-3-4-9-13(12)19-15/h3-4,8-11H,5-7H2,1-2H3
InChIKeyWRLZUFHVWOARKX-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.42
Rot. Bonds1

About 2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one

2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one (PubChem CID 59485297) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one
PubChem CID59485297
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one
SMILESCC1CCCC(C)N1c1nc(=O)c2ccccc2s1
InChIInChI=1S/C15H18N2OS/c1-10-6-5-7-11(2)17(10)15-16-14(18)12-8-3-4-9-13(12)19-15/h3-4,8-11H,5-7H2,1-2H3
InChIKeyWRLZUFHVWOARKX-UHFFFAOYSA-N
XLogP3.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one (CID 59485297) is 2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one is CC1CCCC(C)N1c1nc(=O)c2ccccc2s1.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one?
The InChIKey is WRLZUFHVWOARKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-6-5-7-11(2)17(10)15-16-14(18)12-8-3-4-9-13(12)19-15/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one?
2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one has a molecular weight of 274.39 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one is sourced from PubChem (CID 59485297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).