2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one

C13H16N2O3S — CID 59731866

IUPAC2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one
SMILESO=C1c2ccccc2NS(=O)(=O)C1C1CCNCC1
InChIInChI=1S/C13H16N2O3S/c16-12-10-3-1-2-4-11(10)15-19(17,18)13(12)9-5-7-14-8-6-9/h1-4,9,13-15H,5-8H2
InChIKeyPEBFYLFUUXPMOG-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.99
Rot. Bonds1

About 2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one

2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one (PubChem CID 59731866) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one.

Molecular Properties

Compound Name2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one
PubChem CID59731866
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one
SMILESO=C1c2ccccc2NS(=O)(=O)C1C1CCNCC1
InChIInChI=1S/C13H16N2O3S/c16-12-10-3-1-2-4-11(10)15-19(17,18)13(12)9-5-7-14-8-6-9/h1-4,9,13-15H,5-8H2
InChIKeyPEBFYLFUUXPMOG-UHFFFAOYSA-N
XLogP0.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110225881
(4aS,10aR)-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]isoquinolin-5-one
CID 70605169
2-amino-1,2-dihydroindol-3-one;hydrochloride
CID 146048624
3-methylidene-2,2-dioxo-1H-2lambda6,1-benzothiazin-4-one
CID 18730791
2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one
CID 659071
2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol
CID 174534760
2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 83261284
3-piperidin-4-yl-2,3-dihydro-1H-indazole
CID 143791959
3-oxo-1,2-dihydroindole-2-carbonitrile
CID 133058296
spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 68664926
3-methyl-2,3-dihydro-1H-quinolin-4-one
CID 14714861
5,5-dioxo-6H-benzo[c][1,2]benzothiazepin-11-one
CID 10978163

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one?
The IUPAC name of 2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one (CID 59731866) is 2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one.
What is the SMILES notation for 2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one?
The canonical SMILES for 2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one is O=C1c2ccccc2NS(=O)(=O)C1C1CCNCC1.
What is the InChIKey of 2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one?
The InChIKey is PEBFYLFUUXPMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-12-10-3-1-2-4-11(10)15-19(17,18)13(12)9-5-7-14-8-6-9/h1-4,9,13-15H,5-8H2.
What are the key properties of 2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one?
2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one has a molecular weight of 280.35 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one is sourced from PubChem (CID 59731866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).