2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine

C14H19NO3S — CID 117451635

IUPAC2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine
SMILESO=S(=O)(c1ccccc1C1CCCCN1)C1COC1
InChIInChI=1S/C14H19NO3S/c16-19(17,11-9-18-10-11)14-7-2-1-5-12(14)13-6-3-4-8-15-13/h1-2,5,7,11,13,15H,3-4,6,8-10H2
InChIKeyYRKJBVFQBCGEDL-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.67
Rot. Bonds3

About 2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine

2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine (PubChem CID 117451635) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine.

Molecular Properties

Compound Name2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine
PubChem CID117451635
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine
SMILESO=S(=O)(c1ccccc1C1CCCCN1)C1COC1
InChIInChI=1S/C14H19NO3S/c16-19(17,11-9-18-10-11)14-7-2-1-5-12(14)13-6-3-4-8-15-13/h1-2,5,7,11,13,15H,3-4,6,8-10H2
InChIKeyYRKJBVFQBCGEDL-UHFFFAOYSA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(oxetan-3-ylsulfonyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117496210
2-[2-(oxetan-3-yl)phenyl]pyrrolidine
CID 83832200
2-(2-cyclopentylphenyl)piperidine
CID 115005914
2-(oxetan-3-ylsulfonyl)phenol
CID 84680337
(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
CID 171195300
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
3-[(2S)-piperidin-2-yl]benzene-1,2-diamine
CID 55296112
2-naphthalen-1-ylpiperidine
CID 4209523
2-[2-(fluoromethyl)phenyl]piperidine
CID 84664975
2-chloro-3-piperidin-2-ylphenol
CID 130000735
2-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386781
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine?
The IUPAC name of 2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine (CID 117451635) is 2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine.
What is the SMILES notation for 2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine?
The canonical SMILES for 2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine is O=S(=O)(c1ccccc1C1CCCCN1)C1COC1.
What is the InChIKey of 2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine?
The InChIKey is YRKJBVFQBCGEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-19(17,11-9-18-10-11)14-7-2-1-5-12(14)13-6-3-4-8-15-13/h1-2,5,7,11,13,15H,3-4,6,8-10H2.
What are the key properties of 2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine?
2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine has a molecular weight of 281.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxetan-3-ylsulfonyl)phenyl]piperidine is sourced from PubChem (CID 117451635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).