4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine

C15H23NO2S — CID 142176904

IUPAC4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine
SMILESCc1ccc(CCS(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H23NO2S/c1-13-3-5-15(6-4-13)9-12-19(17,18)16-10-7-14(2)8-11-16/h3-6,14H,7-12H2,1-2H3
InChIKeyNTTUQVGOGPFRHQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.60
Rot. Bonds4

About 4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine

4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine (PubChem CID 142176904) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine
PubChem CID142176904
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine
SMILESCc1ccc(CCS(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H23NO2S/c1-13-3-5-15(6-4-13)9-12-19(17,18)16-10-7-14(2)8-11-16/h3-6,14H,7-12H2,1-2H3
InChIKeyNTTUQVGOGPFRHQ-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)ethylsulfonyl]-4-methylpiperidine
CID 90898405
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CID 110299316
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
3-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110749809
1-[(4-methylphenyl)methyl]-4-(2-phenylethylsulfonyl)piperazine
CID 110398775
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
1-[2-(4-methoxyphenyl)ethylsulfonyl]-4-(4-methoxyphenyl)sulfonylpiperidine
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1-methyl-4-[2-[2-(4-methylphenyl)ethylsulfonyl]ethyl]benzene
CID 70410777
[1-[2-(4-fluorophenyl)ethylsulfonyl]piperidin-4-yl]methylcarbamic acid
CID 141057193

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine?
The IUPAC name of 4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine (CID 142176904) is 4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine is Cc1ccc(CCS(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine?
The InChIKey is NTTUQVGOGPFRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-13-3-5-15(6-4-13)9-12-19(17,18)16-10-7-14(2)8-11-16/h3-6,14H,7-12H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine?
4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine has a molecular weight of 281.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine is sourced from PubChem (CID 142176904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).