1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine

C13H19NO2S — CID 780023

IUPAC1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C13H19NO2S/c1-10-8-11(2)13(12(3)9-10)17(15,16)14-6-4-5-7-14/h8-9H,4-7H2,1-3H3
InChIKeyBJQGTRMOFVXKGW-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.40
Rot. Bonds2

About 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine

1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine (PubChem CID 780023) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
PubChem CID780023
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C13H19NO2S/c1-10-8-11(2)13(12(3)9-10)17(15,16)14-6-4-5-7-14/h8-9H,4-7H2,1-3H3
InChIKeyBJQGTRMOFVXKGW-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine (CID 780023) is 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine is Cc1cc(C)c(S(=O)(=O)N2CCCC2)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The InChIKey is BJQGTRMOFVXKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-8-11(2)13(12(3)9-10)17(15,16)14-6-4-5-7-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine has a molecular weight of 253.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 780023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).