2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine

C14H21NO3S — CID 117455699

IUPAC2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine
SMILESCOc1cc(C2(C)CCCN2)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C14H21NO3S/c1-10-8-13(19(4,16)17)11(9-12(10)18-3)14(2)6-5-7-15-14/h8-9,15H,5-7H2,1-4H3
InChIKeyWPMOBTSVEHPQDQ-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.01
Rot. Bonds3

About 2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine

2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine (PubChem CID 117455699) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine
PubChem CID117455699
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine
SMILESCOc1cc(C2(C)CCCN2)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C14H21NO3S/c1-10-8-13(19(4,16)17)11(9-12(10)18-3)14(2)6-5-7-15-14/h8-9,15H,5-7H2,1-4H3
InChIKeyWPMOBTSVEHPQDQ-UHFFFAOYSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine
CID 117426783
2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine
CID 117426832
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
CID 117457126
2-(5-methoxy-2-methylphenyl)-2-methylpyrrolidine
CID 117293900
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine
CID 117301641

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine (CID 117455699) is 2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine is COc1cc(C2(C)CCCN2)c(S(C)(=O)=O)cc1C.
What is the InChIKey of 2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine?
The InChIKey is WPMOBTSVEHPQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-8-13(19(4,16)17)11(9-12(10)18-3)14(2)6-5-7-15-14/h8-9,15H,5-7H2,1-4H3.
What are the key properties of 2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine?
2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine has a molecular weight of 283.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117455699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).