2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone

C15H19N3O3S — CID 22589161

IUPAC2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1C=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C15H19N3O3S/c1-12-6-4-5-9-18(12)15(19)10-17-11-16-22(20,21)14-8-3-2-7-13(14)17/h2-3,7-8,11-12H,4-6,9-10H2,1H3
InChIKeyDPSNQSZYVCYRBS-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.62
Rot. Bonds2

About 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone

2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 22589161) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID22589161
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1C=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C15H19N3O3S/c1-12-6-4-5-9-18(12)15(19)10-17-11-16-22(20,21)14-8-3-2-7-13(14)17/h2-3,7-8,11-12H,4-6,9-10H2,1H3
InChIKeyDPSNQSZYVCYRBS-UHFFFAOYSA-N
XLogP1.62
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 22589072
2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7382226
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
7-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one
CID 110214353
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
(5R)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2453229
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
CID 81322400
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone
CID 95353092
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone (CID 22589161) is 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CN1C=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is DPSNQSZYVCYRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-12-6-4-5-9-18(12)15(19)10-17-11-16-22(20,21)14-8-3-2-7-13(14)17/h2-3,7-8,11-12H,4-6,9-10H2,1H3.
What are the key properties of 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone?
2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 321.40 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 22589161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).