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

C13H17NO2S — CID 10944877

IUPAC2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=CC1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO2S/c1-3-12-5-4-10-14(12)17(15,16)13-8-6-11(2)7-9-13/h3,6-9,12H,1,4-5,10H2,2H3
InChIKeyQFNLSGFATVXXQL-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.33
Rot. Bonds3

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

2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 10944877) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID10944877
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=CC1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO2S/c1-3-12-5-4-10-14(12)17(15,16)13-8-6-11(2)7-9-13/h3,6-9,12H,1,4-5,10H2,2H3
InChIKeyQFNLSGFATVXXQL-UHFFFAOYSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.33
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

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
SB-258741
CID 9863250
6-[(4-Methylphenyl)sulfonyl]-6-azabicyclo[3.2.1]octane
CID 613677
N-cycloheptyl-4-methylbenzenesulfonamide
CID 668969
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 3674522
4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 3703019
1-(p-Tosyl)-3,4,4-trimethylimidazolidine
CID 126588
3,3'-(P-Tosylimino)dipropionitrile
CID 229494

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 10944877) is 2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine is C=CC1CCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is QFNLSGFATVXXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-3-12-5-4-10-14(12)17(15,16)13-8-6-11(2)7-9-13/h3,6-9,12H,1,4-5,10H2,2H3.
What are the key properties of 2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine?
2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 251.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 10944877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).