(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-1-(2-(4'-(3-methoxypropylsulfonyl)biphenyl-4-yl)ethyl)-2-methylpyrrolidine
CID 24900259
4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonic Acid Ethylamide
CID 23649185
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonyl-1,4-thiazinane 1,1-dioxide
CID 24885255
3-{4'-(2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonyl}-propan-1-ol
CID 24896791
(R)-1-[2-(4'-Cyclopentanesulfonyl-biphenyl-4-yl)-ethyl]-2-methyl-pyrrolidine
CID 24897021
(R)-2-Methyl-1-{2-[4'-(tetrahydro-pyran-4-ylmethanesulfonyl)-biphenyl-4-yl]-ethyl}-pyrrolidine
CID 24897476
(2R)-2-methyl-1-[2-[4-[4-(oxan-2-ylmethylsulfonyl)phenyl]phenyl]ethyl]pyrrolidine
CID 24897683
(R)-1-[2-(4'-Ethanesulfonyl-biphenyl-4-yl)-ethyl]-2-methyl-pyrrolidine
CID 24900017
(R)-2-Methyl-1-{2-[4'-(propane-1-sulfonyl)-biphenyl-4-yl]-ethyl}-pyrrolidine
CID 24900020
(R)-2-Methyl-1-[2-(4'-phenylmethanesulfonyl-biphenyl-4-yl)-ethyl]-pyrrolidine
CID 24900258
(R)-1-{2-[4'-(2-Ethoxy-ethanesulfonyl)-biphenyl-4-yl]-ethyl}-2-methyl-pyrrolidine
CID 24900263
1-[3-[1-(Benzenesulfonyl)cyclobutyl]propyl]-3-phenylpyrrolidine
CID 11326570

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).