(2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine

C21H27NO2S — CID 24900017

IUPAC(2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine
SMILESCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1
InChIInChI=1S/C21H27NO2S/c1-3-25(23,24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)14-16-22-15-4-5-17(22)2/h6-13,17H,3-5,14-16H2,1-2H3/t17-/m1/s1
InChIKeyZSEYAGMKVLDVQC-QGZVFWFLSA-N
MW357.52 g/mol
LogP4.17
Rot. Bonds6

About (2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine

(2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine (PubChem CID 24900017) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is (2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine
PubChem CID24900017
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name(2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine
SMILESCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1
InChIInChI=1S/C21H27NO2S/c1-3-25(23,24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)14-16-22-15-4-5-17(22)2/h6-13,17H,3-5,14-16H2,1-2H3/t17-/m1/s1
InChIKeyZSEYAGMKVLDVQC-QGZVFWFLSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine?
The IUPAC name of (2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine (CID 24900017) is (2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine.
What is the SMILES notation for (2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine?
The canonical SMILES for (2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine is CCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1.
What is the InChIKey of (2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine?
The InChIKey is ZSEYAGMKVLDVQC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-3-25(23,24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)14-16-22-15-4-5-17(22)2/h6-13,17H,3-5,14-16H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine?
(2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine has a molecular weight of 357.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]-2-methylpyrrolidine is sourced from PubChem (CID 24900017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).