3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide

C14H18N2O3S — CID 133270595

IUPAC3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide
SMILESCCOC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C14H18N2O3S/c1-2-19-11-7-9-16(10-8-11)14-12-5-3-4-6-13(12)20(17,18)15-14/h3-6,11H,2,7-10H2,1H3
InChIKeyHASNQJCFRUKGRG-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.64
Rot. Bonds2

About 3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide

3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide (PubChem CID 133270595) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide
PubChem CID133270595
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide
SMILESCCOC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C14H18N2O3S/c1-2-19-11-7-9-16(10-8-11)14-12-5-3-4-6-13(12)20(17,18)15-14/h3-6,11H,2,7-10H2,1H3
InChIKeyHASNQJCFRUKGRG-UHFFFAOYSA-N
XLogP1.64
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide 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

2-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]oxyethanamine
CID 82688769
[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 86976049
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol
CID 80701942
N-(2-amino-2-ethylbutyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 119643786
3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1,2-benzothiazole 1,1-dioxide
CID 133352002
N-(2-amino-2-ethylbutyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119643785
3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-benzothiazole 1,1-dioxide
CID 133328771
3-(ethylcarbamoylamino)propyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate
CID 56583711
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate
CID 24647834
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 163356784
N-cyclopropyl-N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126891189
3-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carbonyl]amino]propanoic acid
CID 119176968

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide (CID 133270595) is 3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide is CCOC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is HASNQJCFRUKGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-19-11-7-9-16(10-8-11)14-12-5-3-4-6-13(12)20(17,18)15-14/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide?
3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide has a molecular weight of 294.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 133270595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).