2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine

C13H19NO3S — CID 117426832

IUPAC2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)cc1S(C)(=O)=O
InChIInChI=1S/C13H19NO3S/c1-13(7-4-8-14-13)10-5-6-11(17-2)12(9-10)18(3,15)16/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyGZUYEGGTSUOEFO-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.70
Rot. Bonds3

About 2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine

2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine (PubChem CID 117426832) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine
PubChem CID117426832
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)cc1S(C)(=O)=O
InChIInChI=1S/C13H19NO3S/c1-13(7-4-8-14-13)10-5-6-11(17-2)12(9-10)18(3,15)16/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyGZUYEGGTSUOEFO-UHFFFAOYSA-N
XLogP1.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine
CID 117401425
2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine
CID 117455699
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-2-methylpyrrolidine
CID 117473686
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117361396
2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224
2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117391565
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
CID 117405563

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine (CID 117426832) is 2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine is COc1ccc(C2(C)CCCN2)cc1S(C)(=O)=O.
What is the InChIKey of 2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine?
The InChIKey is GZUYEGGTSUOEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(7-4-8-14-13)10-5-6-11(17-2)12(9-10)18(3,15)16/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine?
2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine has a molecular weight of 269.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117426832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).