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

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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).