1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine

C15H23NO2S — CID 2804566

IUPAC1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCCC2)c(C)c1C
InChIInChI=1S/C15H23NO2S/c1-10-11(2)13(4)15(14(5)12(10)3)19(17,18)16-8-6-7-9-16/h6-9H2,1-5H3
InChIKeyAVZMOQZMGFIBIV-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.01
Rot. Bonds2

About 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine

1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine (PubChem CID 2804566) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine
PubChem CID2804566
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCCC2)c(C)c1C
InChIInChI=1S/C15H23NO2S/c1-10-11(2)13(4)15(14(5)12(10)3)19(17,18)16-8-6-7-9-16/h6-9H2,1-5H3
InChIKeyAVZMOQZMGFIBIV-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine (CID 2804566) is 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine is Cc1c(C)c(C)c(S(=O)(=O)N2CCCC2)c(C)c1C.
What is the InChIKey of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine?
The InChIKey is AVZMOQZMGFIBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-10-11(2)13(4)15(14(5)12(10)3)19(17,18)16-8-6-7-9-16/h6-9H2,1-5H3.
What are the key properties of 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine?
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine has a molecular weight of 281.42 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 2804566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).