3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide

C13H16N2O3S — CID 94407341

IUPAC3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(OC[C@H]2CCCCN2)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c16-19(17)12-7-2-1-6-11(12)13(15-19)18-9-10-5-3-4-8-14-10/h1-2,6-7,10,14H,3-5,8-9H2/t10-/m1/s1
InChIKeyFUGUFSKSYLYBSM-SNVBAGLBSA-N
MW280.35 g/mol
LogP1.29
Rot. Bonds2

About 3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide

3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide (PubChem CID 94407341) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide
PubChem CID94407341
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(OC[C@H]2CCCCN2)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c16-19(17)12-7-2-1-6-11(12)13(15-19)18-9-10-5-3-4-8-14-10/h1-2,6-7,10,14H,3-5,8-9H2/t10-/m1/s1
InChIKeyFUGUFSKSYLYBSM-SNVBAGLBSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrolidin-3-yloxy-1,2-benzothiazole 1,1-dioxide
CID 62348780
3-[(3S)-piperidin-3-yl]oxy-1,2-benzothiazole 1,1-dioxide;hydrochloride
CID 71646245
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)piperidine
CID 54943160
3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
CID 103204981
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
4-(piperidin-2-ylmethoxy)quinoline
CID 62348463
(1,1-dioxo-1,2-benzothiazol-3-yl)oxyboronic acid
CID 164680331
3-(piperidin-2-ylmethoxy)-1,2-benzoxazole
CID 84726604
2-(piperidin-2-ylmethoxy)pyridin-3-ol;hydrochloride
CID 71646420
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 23582860

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide (CID 94407341) is 3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(OC[C@H]2CCCCN2)c2ccccc21.
What is the InChIKey of 3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide?
The InChIKey is FUGUFSKSYLYBSM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-19(17)12-7-2-1-6-11(12)13(15-19)18-9-10-5-3-4-8-14-10/h1-2,6-7,10,14H,3-5,8-9H2/t10-/m1/s1.
What are the key properties of 3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide?
3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide has a molecular weight of 280.35 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-piperidin-2-yl]methoxy]-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 94407341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).