4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine

C15H23NO2S — CID 801435

IUPAC4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C15H23NO2S/c1-12(2)14-4-6-15(7-5-14)19(17,18)16-10-8-13(3)9-11-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyZGPXWZZZLMPRNQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.23
Rot. Bonds3

About 4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine

4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine (PubChem CID 801435) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine
PubChem CID801435
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C15H23NO2S/c1-12(2)14-4-6-15(7-5-14)19(17,18)16-10-8-13(3)9-11-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyZGPXWZZZLMPRNQ-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine?
The IUPAC name of 4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine (CID 801435) is 4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine is CC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine?
The InChIKey is ZGPXWZZZLMPRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(2)14-4-6-15(7-5-14)19(17,18)16-10-8-13(3)9-11-16/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine?
4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine has a molecular weight of 281.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine is sourced from PubChem (CID 801435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).