2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one

C14H16N2OS — CID 25230888

IUPAC2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one
SMILESCC1CCCCN1c1nc(=O)c2ccccc2s1
InChIInChI=1S/C14H16N2OS/c1-10-6-4-5-9-16(10)14-15-13(17)11-7-2-3-8-12(11)18-14/h2-3,7-8,10H,4-6,9H2,1H3
InChIKeyAEVNQMRJFUKFPZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.04
Rot. Bonds1

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

2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one (PubChem CID 25230888) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one
PubChem CID25230888
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one
SMILESCC1CCCCN1c1nc(=O)c2ccccc2s1
InChIInChI=1S/C14H16N2OS/c1-10-6-4-5-9-16(10)14-15-13(17)11-7-2-3-8-12(11)18-14/h2-3,7-8,10H,4-6,9H2,1H3
InChIKeyAEVNQMRJFUKFPZ-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one (CID 25230888) is 2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one is CC1CCCCN1c1nc(=O)c2ccccc2s1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one?
The InChIKey is AEVNQMRJFUKFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-6-4-5-9-16(10)14-15-13(17)11-7-2-3-8-12(11)18-14/h2-3,7-8,10H,4-6,9H2,1H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one?
2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one has a molecular weight of 260.36 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one is sourced from PubChem (CID 25230888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).