3-[(2-methylsulfonylphenoxy)methyl]piperidine

C13H19NO3S — CID 62348042

IUPAC3-[(2-methylsulfonylphenoxy)methyl]piperidine
SMILESCS(=O)(=O)c1ccccc1OCC1CCCNC1
InChIInChI=1S/C13H19NO3S/c1-18(15,16)13-7-3-2-6-12(13)17-10-11-5-4-8-14-9-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3
InChIKeyGNAVAWXNOLMZDW-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.47
Rot. Bonds4

About 3-[(2-methylsulfonylphenoxy)methyl]piperidine

3-[(2-methylsulfonylphenoxy)methyl]piperidine (PubChem CID 62348042) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[(2-methylsulfonylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-methylsulfonylphenoxy)methyl]piperidine
PubChem CID62348042
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-[(2-methylsulfonylphenoxy)methyl]piperidine
SMILESCS(=O)(=O)c1ccccc1OCC1CCCNC1
InChIInChI=1S/C13H19NO3S/c1-18(15,16)13-7-3-2-6-12(13)17-10-11-5-4-8-14-9-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3
InChIKeyGNAVAWXNOLMZDW-UHFFFAOYSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide
CID 62348183
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine
CID 174631529
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)aniline
CID 55247260
2-(2-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595617

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylsulfonylphenoxy)methyl]piperidine?
The IUPAC name of 3-[(2-methylsulfonylphenoxy)methyl]piperidine (CID 62348042) is 3-[(2-methylsulfonylphenoxy)methyl]piperidine.
What is the SMILES notation for 3-[(2-methylsulfonylphenoxy)methyl]piperidine?
The canonical SMILES for 3-[(2-methylsulfonylphenoxy)methyl]piperidine is CS(=O)(=O)c1ccccc1OCC1CCCNC1.
What is the InChIKey of 3-[(2-methylsulfonylphenoxy)methyl]piperidine?
The InChIKey is GNAVAWXNOLMZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-18(15,16)13-7-3-2-6-12(13)17-10-11-5-4-8-14-9-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3.
What are the key properties of 3-[(2-methylsulfonylphenoxy)methyl]piperidine?
3-[(2-methylsulfonylphenoxy)methyl]piperidine has a molecular weight of 269.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylsulfonylphenoxy)methyl]piperidine is sourced from PubChem (CID 62348042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).