(2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine

C26H29NO2S — CID 134848112

IUPAC(2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)(c3ccccc3)C[C@@H]2C(C)C)cc1
InChIInChI=1S/C26H29NO2S/c1-20(2)25-18-26(22-10-6-4-7-11-22,23-12-8-5-9-13-23)19-27(25)30(28,29)24-16-14-21(3)15-17-24/h4-17,20,25H,18-19H2,1-3H3/t25-/m1/s1
InChIKeyMJRXOLQBYZMVJE-RUZDIDTESA-N
MW419.59 g/mol
LogP5.40
Rot. Bonds5

About (2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine

(2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine (PubChem CID 134848112) has the molecular formula C26H29NO2S and a molecular weight of 419.59 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine
PubChem CID134848112
Molecular FormulaC26H29NO2S
Molecular Weight419.59 g/mol
Exact Mass419.19
IUPAC Name(2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)(c3ccccc3)C[C@@H]2C(C)C)cc1
InChIInChI=1S/C26H29NO2S/c1-20(2)25-18-26(22-10-6-4-7-11-22,23-12-8-5-9-13-23)19-27(25)30(28,29)24-16-14-21(3)15-17-24/h4-17,20,25H,18-19H2,1-3H3/t25-/m1/s1
InChIKeyMJRXOLQBYZMVJE-RUZDIDTESA-N
XLogP5.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
CID 77140020
2-(iodomethyl)-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
CID 102531052
2-benzyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
CID 102221375
gold(1+);2-methanidyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine;triphenylphosphane
CID 135008281
(7aS)-2-(4-methylphenyl)sulfonyl-6,6-diphenyl-3,5,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole
CID 102593211
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 82251759
(2S,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrrolidine
CID 16663486
(4,4-diphenyl-2-propan-2-ylpyrrolidin-1-yl) thiohypoiodite
CID 135207767
methyl (2S,4R)-4-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylate
CID 15386103
(1R,5S)-6-(4-methylphenyl)sulfonyl-1-phenyl-8-oxa-6-azabicyclo[3.2.1]octane
CID 122216426
(3aS,7aS)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-3a,4,5,7a-tetrahydro-2H-indole
CID 101469434

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine?
The IUPAC name of (2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine (CID 134848112) is (2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)(c3ccccc3)C[C@@H]2C(C)C)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine?
The InChIKey is MJRXOLQBYZMVJE-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29NO2S/c1-20(2)25-18-26(22-10-6-4-7-11-22,23-12-8-5-9-13-23)19-27(25)30(28,29)24-16-14-21(3)15-17-24/h4-17,20,25H,18-19H2,1-3H3/t25-/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine?
(2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine has a molecular weight of 419.59 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 134848112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).