2-(4-methylphenyl)-1-methylsulfonylpyrrolidine

C12H17NO2S — CID 53003266

IUPAC2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
SMILESCc1ccc(C2CCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C12H17NO2S/c1-10-5-7-11(8-6-10)12-4-3-9-13(12)16(2,14)15/h5-8,12H,3-4,9H2,1-2H3
InChIKeyAFQKRAITQVQNDX-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.09
Rot. Bonds2

About 2-(4-methylphenyl)-1-methylsulfonylpyrrolidine

2-(4-methylphenyl)-1-methylsulfonylpyrrolidine (PubChem CID 53003266) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
PubChem CID53003266
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
SMILESCc1ccc(C2CCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C12H17NO2S/c1-10-5-7-11(8-6-10)12-4-3-9-13(12)16(2,14)15/h5-8,12H,3-4,9H2,1-2H3
InChIKeyAFQKRAITQVQNDX-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
CID 51694759
(2S)-2-(4-methylphenyl)-1-propylsulfonylpyrrolidine
CID 51855861
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 50747098
(2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
CID 92502946
(2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 51856140
N,N-diethyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 24678968
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine
CID 95729302
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-methylsulfonylpyrrolidine?
The IUPAC name of 2-(4-methylphenyl)-1-methylsulfonylpyrrolidine (CID 53003266) is 2-(4-methylphenyl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2-(4-methylphenyl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2-(4-methylphenyl)-1-methylsulfonylpyrrolidine is Cc1ccc(C2CCCN2S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-methylsulfonylpyrrolidine?
The InChIKey is AFQKRAITQVQNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-5-7-11(8-6-10)12-4-3-9-13(12)16(2,14)15/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-methylsulfonylpyrrolidine?
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine has a molecular weight of 239.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 53003266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).