4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one

C14H18N2OS — CID 116994439

IUPAC4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one
SMILESCN1C(=O)CSc2cc(C3CCCCN3)ccc21
InChIInChI=1S/C14H18N2OS/c1-16-12-6-5-10(11-4-2-3-7-15-11)8-13(12)18-9-14(16)17/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyLXQJHAZTQOBEEO-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.57
Rot. Bonds1

About 4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one

4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one (PubChem CID 116994439) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one
PubChem CID116994439
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one
SMILESCN1C(=O)CSc2cc(C3CCCCN3)ccc21
InChIInChI=1S/C14H18N2OS/c1-16-12-6-5-10(11-4-2-3-7-15-11)8-13(12)18-9-14(16)17/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyLXQJHAZTQOBEEO-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 116994528

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one?
The IUPAC name of 4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one (CID 116994439) is 4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one?
The canonical SMILES for 4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one is CN1C(=O)CSc2cc(C3CCCCN3)ccc21.
What is the InChIKey of 4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one?
The InChIKey is LXQJHAZTQOBEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16-12-6-5-10(11-4-2-3-7-15-11)8-13(12)18-9-14(16)17/h5-6,8,11,15H,2-4,7,9H2,1H3.
What are the key properties of 4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one?
4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one has a molecular weight of 262.38 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-piperidin-2-yl-1,4-benzothiazin-3-one is sourced from PubChem (CID 116994439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).