3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide

C13H16N2O3S — CID 55065734

IUPAC3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(OCC2CCNCC2)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c16-19(17)12-4-2-1-3-11(12)13(15-19)18-9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
InChIKeyGAVJOBLEYLLUCU-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.15
Rot. Bonds2

About 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide

3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide (PubChem CID 55065734) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide
PubChem CID55065734
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(OCC2CCNCC2)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c16-19(17)12-4-2-1-3-11(12)13(15-19)18-9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
InChIKeyGAVJOBLEYLLUCU-UHFFFAOYSA-N
XLogP1.15
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide
CID 94407341
3-pyrrolidin-3-yloxy-1,2-benzothiazole 1,1-dioxide
CID 62348780
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]ethanamine
CID 62348125
3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide
CID 67576811
(1,1-dioxo-1,2-benzothiazol-3-yl)oxyboronic acid
CID 164680331
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 163356784
4-[(2-iodophenoxy)methyl]piperidine;hydrochloride
CID 53409948
3-(2,3,4,5,6-pentafluorophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 71319120
1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine
CID 63304311
2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile
CID 170886397
3-(piperidin-4-ylmethoxy)quinoxalin-2-amine
CID 71644088

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide (CID 55065734) is 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(OCC2CCNCC2)c2ccccc21.
What is the InChIKey of 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is GAVJOBLEYLLUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-19(17)12-4-2-1-3-11(12)13(15-19)18-9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2.
What are the key properties of 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide?
3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide has a molecular weight of 280.35 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethoxy)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 55065734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).