(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine

C16H25NO2S — CID 97101388

IUPAC(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
SMILESCS(=O)(=O)CCN1CCCC[C@H]1CCc1ccccc1
InChIInChI=1S/C16H25NO2S/c1-20(18,19)14-13-17-12-6-5-9-16(17)11-10-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3/t16-/m0/s1
InChIKeyVDAOQEKEGSIWKW-INIZCTEOSA-N
MW295.45 g/mol
LogP2.52
Rot. Bonds6

About (2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine

(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine (PubChem CID 97101388) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is (2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
PubChem CID97101388
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
SMILESCS(=O)(=O)CCN1CCCC[C@H]1CCc1ccccc1
InChIInChI=1S/C16H25NO2S/c1-20(18,19)14-13-17-12-6-5-9-16(17)11-10-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3/t16-/m0/s1
InChIKeyVDAOQEKEGSIWKW-INIZCTEOSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
CID 63387052
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide
CID 54603548
1-[1-(2-methylsulfonylethyl)azepan-2-yl]propan-2-ol
CID 114338663
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine
CID 48936290
methylidene-oxo-[2-(2-phenylethyl)piperidin-1-yl]-thiophen-2-yl-λ6-sulfane
CID 158700117
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine
CID 97130537
2-benzyl-1-(2-methylsulfonylethyl)piperazine
CID 64846831

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine?
The IUPAC name of (2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine (CID 97101388) is (2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine.
What is the SMILES notation for (2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine?
The canonical SMILES for (2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine is CS(=O)(=O)CCN1CCCC[C@H]1CCc1ccccc1.
What is the InChIKey of (2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine?
The InChIKey is VDAOQEKEGSIWKW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-20(18,19)14-13-17-12-6-5-9-16(17)11-10-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine?
(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine has a molecular weight of 295.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine is sourced from PubChem (CID 97101388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).