(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine

C15H23NO2S — CID 42212255

IUPAC(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
SMILESCCS(=O)(=O)N1CCC[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C15H23NO2S/c1-2-19(17,18)16-12-6-9-15(13-16)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3/t15-/m0/s1
InChIKeyYLHMJPWLZZMUBY-HNNXBMFYSA-N
MW281.42 g/mol
LogP2.68
Rot. Bonds5

About (3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine

(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine (PubChem CID 42212255) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
PubChem CID42212255
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
SMILESCCS(=O)(=O)N1CCC[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C15H23NO2S/c1-2-19(17,18)16-12-6-9-15(13-16)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3/t15-/m0/s1
InChIKeyYLHMJPWLZZMUBY-HNNXBMFYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-iodo-3-(2-phenylethyl)piperidine
CID 57245811
1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide
CID 97273714
3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 45174478
5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine
CID 124942398
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
CID 110638637
2-phenylethylcyclooctane
CID 54073487
(3R)-1-ethylsulfonyl-3-(3-phenylpropoxy)pyrrolidine
CID 96563395
4-(2-phenylethyl)-1-sulfanylazepane
CID 123467007
(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 26393154
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine?
The IUPAC name of (3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine (CID 42212255) is (3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine.
What is the SMILES notation for (3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine?
The canonical SMILES for (3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine is CCS(=O)(=O)N1CCC[C@@H](CCc2ccccc2)C1.
What is the InChIKey of (3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine?
The InChIKey is YLHMJPWLZZMUBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-19(17,18)16-12-6-9-15(13-16)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3/t15-/m0/s1.
What are the key properties of (3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine?
(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine has a molecular weight of 281.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine is sourced from PubChem (CID 42212255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).