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

C14H21NO2S — CID 767405

IUPAC1-(4-propan-2-ylphenyl)sulfonylpiperidine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-12(2)13-6-8-14(9-7-13)18(16,17)15-10-4-3-5-11-15/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyMLPQLHCHYXHNGF-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.98
Rot. Bonds3

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

1-(4-propan-2-ylphenyl)sulfonylpiperidine (PubChem CID 767405) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonylpiperidine
PubChem CID767405
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(4-propan-2-ylphenyl)sulfonylpiperidine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-12(2)13-6-8-14(9-7-13)18(16,17)15-10-4-3-5-11-15/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyMLPQLHCHYXHNGF-UHFFFAOYSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylpiperidine (CID 767405) is 1-(4-propan-2-ylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonylpiperidine is CC(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonylpiperidine?
The InChIKey is MLPQLHCHYXHNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12(2)13-6-8-14(9-7-13)18(16,17)15-10-4-3-5-11-15/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonylpiperidine?
1-(4-propan-2-ylphenyl)sulfonylpiperidine has a molecular weight of 267.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)sulfonylpiperidine is sourced from PubChem (CID 767405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).