2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine

C15H23NO2S — CID 24799392

IUPAC2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)(C)CC2(C)C)cc1
InChIInChI=1S/C15H23NO2S/c1-12-6-8-13(9-7-12)19(17,18)16-11-14(2,3)10-15(16,4)5/h6-9H,10-11H2,1-5H3
InChIKeyYVJPPMVVSBUQGB-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.19
Rot. Bonds2

About 2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine

2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 24799392) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID24799392
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)(C)CC2(C)C)cc1
InChIInChI=1S/C15H23NO2S/c1-12-6-8-13(9-7-12)19(17,18)16-11-14(2,3)10-15(16,4)5/h6-9H,10-11H2,1-5H3
InChIKeyYVJPPMVVSBUQGB-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 24799392) is 2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CC(C)(C)CC2(C)C)cc1.
What is the InChIKey of 2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is YVJPPMVVSBUQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-6-8-13(9-7-12)19(17,18)16-11-14(2,3)10-15(16,4)5/h6-9H,10-11H2,1-5H3.
What are the key properties of 2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 281.42 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 24799392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).