(2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine

C24H23NO2S — CID 131848674

IUPAC(2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine
SMILESC=C1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H23NO2S/c1-18-13-15-22(16-14-18)28(26,27)25-17-19(2)23(20-9-5-3-6-10-20)24(25)21-11-7-4-8-12-21/h3-16,23-24H,2,17H2,1H3/t23-,24+/m1/s1
InChIKeyYEFHUCYAKNBRJR-RPWUZVMVSA-N
MW389.52 g/mol
LogP5.08
Rot. Bonds4

About (2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine

(2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine (PubChem CID 131848674) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is (2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine.

Molecular Properties

Compound Name(2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine
PubChem CID131848674
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name(2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine
SMILESC=C1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H23NO2S/c1-18-13-15-22(16-14-18)28(26,27)25-17-19(2)23(20-9-5-3-6-10-20)24(25)21-11-7-4-8-12-21/h3-16,23-24H,2,17H2,1H3/t23-,24+/m1/s1
InChIKeyYEFHUCYAKNBRJR-RPWUZVMVSA-N
XLogP5.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one
CID 102530463
(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
CID 86002564
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
(2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide
CID 132918406
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091
diethyl 4-methylidene-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine-3,3-dicarboxylate
CID 15429885

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine?
The IUPAC name of (2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine (CID 131848674) is (2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine.
What is the SMILES notation for (2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine?
The canonical SMILES for (2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine is C=C1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine?
The InChIKey is YEFHUCYAKNBRJR-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-18-13-15-22(16-14-18)28(26,27)25-17-19(2)23(20-9-5-3-6-10-20)24(25)21-11-7-4-8-12-21/h3-16,23-24H,2,17H2,1H3/t23-,24+/m1/s1.
What are the key properties of (2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine?
(2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine has a molecular weight of 389.52 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine is sourced from PubChem (CID 131848674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).