(2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine

C20H25NO2S — CID 24900016

IUPAC(2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25NO2S/c1-16-4-3-14-21(16)15-13-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(2,22)23/h5-12,16H,3-4,13-15H2,1-2H3/t16-/m1/s1
InChIKeyWJQMVNBJCNFHHV-MRXNPFEDSA-N
MW343.49 g/mol
LogP3.78
Rot. Bonds5

About (2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine

(2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine (PubChem CID 24900016) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine
PubChem CID24900016
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25NO2S/c1-16-4-3-14-21(16)15-13-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(2,22)23/h5-12,16H,3-4,13-15H2,1-2H3/t16-/m1/s1
InChIKeyWJQMVNBJCNFHHV-MRXNPFEDSA-N
XLogP3.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine?
The IUPAC name of (2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine (CID 24900016) is (2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine?
The canonical SMILES for (2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine is C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine?
The InChIKey is WJQMVNBJCNFHHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-16-4-3-14-21(16)15-13-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(2,22)23/h5-12,16H,3-4,13-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine?
(2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine has a molecular weight of 343.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]pyrrolidine is sourced from PubChem (CID 24900016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).