2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine

C15H21NO2S — CID 11097907

IUPAC2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=CC1CC(C)(C)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2S/c1-5-13-10-15(3,4)11-16(13)19(17,18)14-8-6-12(2)7-9-14/h5-9,13H,1,10-11H2,2-4H3
InChIKeyXUVUEYYIUUKLDN-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.97
Rot. Bonds3

About 2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine

2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 11097907) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID11097907
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=CC1CC(C)(C)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2S/c1-5-13-10-15(3,4)11-16(13)19(17,18)14-8-6-12(2)7-9-14/h5-9,13H,1,10-11H2,2-4H3
InChIKeyXUVUEYYIUUKLDN-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 11097907) is 2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine is C=CC1CC(C)(C)CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is XUVUEYYIUUKLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-5-13-10-15(3,4)11-16(13)19(17,18)14-8-6-12(2)7-9-14/h5-9,13H,1,10-11H2,2-4H3.
What are the key properties of 2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 279.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 11097907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).