1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine

C15H23NO2S — CID 2990879

IUPAC1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2)c(C)c(C)c1C
InChIInChI=1S/C15H23NO2S/c1-11-10-15(14(4)13(3)12(11)2)19(17,18)16-8-6-5-7-9-16/h10H,5-9H2,1-4H3
InChIKeyGDTJZCPDTNJCAR-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.09
Rot. Bonds2

About 1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine

1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine (PubChem CID 2990879) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine
PubChem CID2990879
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2)c(C)c(C)c1C
InChIInChI=1S/C15H23NO2S/c1-11-10-15(14(4)13(3)12(11)2)19(17,18)16-8-6-5-7-9-16/h10H,5-9H2,1-4H3
InChIKeyGDTJZCPDTNJCAR-UHFFFAOYSA-N
XLogP3.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine (CID 2990879) is 1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine is Cc1cc(S(=O)(=O)N2CCCCC2)c(C)c(C)c1C.
What is the InChIKey of 1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine?
The InChIKey is GDTJZCPDTNJCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-10-15(14(4)13(3)12(11)2)19(17,18)16-8-6-5-7-9-16/h10H,5-9H2,1-4H3.
What are the key properties of 1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine?
1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine has a molecular weight of 281.42 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetramethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 2990879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).