1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine

C20H25NO2S — CID 892041

IUPAC1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine
SMILESCc1ccc(S(=O)(=O)C[C@@H](c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C20H25NO2S/c1-17-10-12-19(13-11-17)24(22,23)16-20(18-8-4-2-5-9-18)21-14-6-3-7-15-21/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3/t20-/m0/s1
InChIKeyKRUSBQSUJNVPSL-FQEVSTJZSA-N
MW343.49 g/mol
LogP4.00
Rot. Bonds5

About 1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine

1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine (PubChem CID 892041) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine.

Molecular Properties

Compound Name1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine
PubChem CID892041
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine
SMILESCc1ccc(S(=O)(=O)C[C@@H](c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C20H25NO2S/c1-17-10-12-19(13-11-17)24(22,23)16-20(18-8-4-2-5-9-18)21-14-6-3-7-15-21/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3/t20-/m0/s1
InChIKeyKRUSBQSUJNVPSL-FQEVSTJZSA-N
XLogP4.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
1-(4-methylphenyl)sulfonyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112503252
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
[1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid
CID 57092140
(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol
CID 118527312
4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide
CID 1103089
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
(1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine
CID 167596335
N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide
CID 15423591
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine
CID 10657531

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine?
The IUPAC name of 1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine (CID 892041) is 1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine.
What is the SMILES notation for 1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine?
The canonical SMILES for 1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine is Cc1ccc(S(=O)(=O)C[C@@H](c2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine?
The InChIKey is KRUSBQSUJNVPSL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-17-10-12-19(13-11-17)24(22,23)16-20(18-8-4-2-5-9-18)21-14-6-3-7-15-21/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine?
1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine has a molecular weight of 343.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine is sourced from PubChem (CID 892041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).