2,5-diphenyl-3-phenylsulfanylpyrrolidine

C22H21NS — CID 13495172

IUPAC2,5-diphenyl-3-phenylsulfanylpyrrolidine
SMILESc1ccc(SC2CC(c3ccccc3)NC2c2ccccc2)cc1
InChIInChI=1S/C22H21NS/c1-4-10-17(11-5-1)20-16-21(24-19-14-8-3-9-15-19)22(23-20)18-12-6-2-7-13-18/h1-15,20-23H,16H2
InChIKeyWWYRWNJAJPUFJF-UHFFFAOYSA-N
MW331.48 g/mol
LogP5.62
Rot. Bonds4

About 2,5-diphenyl-3-phenylsulfanylpyrrolidine

2,5-diphenyl-3-phenylsulfanylpyrrolidine (PubChem CID 13495172) has the molecular formula C22H21NS and a molecular weight of 331.48 g/mol. Its IUPAC name is 2,5-diphenyl-3-phenylsulfanylpyrrolidine.

Molecular Properties

Compound Name2,5-diphenyl-3-phenylsulfanylpyrrolidine
PubChem CID13495172
Molecular FormulaC22H21NS
Molecular Weight331.48 g/mol
Exact Mass331.14
IUPAC Name2,5-diphenyl-3-phenylsulfanylpyrrolidine
SMILESc1ccc(SC2CC(c3ccccc3)NC2c2ccccc2)cc1
InChIInChI=1S/C22H21NS/c1-4-10-17(11-5-1)20-16-21(24-19-14-8-3-9-15-19)22(23-20)18-12-6-2-7-13-18/h1-15,20-23H,16H2
InChIKeyWWYRWNJAJPUFJF-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.48
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-3-phenylsulfanylpyrrolidine?
The IUPAC name of 2,5-diphenyl-3-phenylsulfanylpyrrolidine (CID 13495172) is 2,5-diphenyl-3-phenylsulfanylpyrrolidine.
What is the SMILES notation for 2,5-diphenyl-3-phenylsulfanylpyrrolidine?
The canonical SMILES for 2,5-diphenyl-3-phenylsulfanylpyrrolidine is c1ccc(SC2CC(c3ccccc3)NC2c2ccccc2)cc1.
What is the InChIKey of 2,5-diphenyl-3-phenylsulfanylpyrrolidine?
The InChIKey is WWYRWNJAJPUFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NS/c1-4-10-17(11-5-1)20-16-21(24-19-14-8-3-9-15-19)22(23-20)18-12-6-2-7-13-18/h1-15,20-23H,16H2.
What are the key properties of 2,5-diphenyl-3-phenylsulfanylpyrrolidine?
2,5-diphenyl-3-phenylsulfanylpyrrolidine has a molecular weight of 331.48 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-3-phenylsulfanylpyrrolidine is sourced from PubChem (CID 13495172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).