[(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol

C24H25NOS — CID 11451661

IUPAC[(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C24H25NOS/c26-18-22-16-23(17-25-22)27-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23,25-26H,16-18H2/t22-,23+/m0/s1
InChIKeyIEFVBHIMTDOEHO-XZOQPEGZSA-N
MW375.54 g/mol
LogP4.43
Rot. Bonds6

About [(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol

[(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol (PubChem CID 11451661) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is [(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol
PubChem CID11451661
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC Name[(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C24H25NOS/c26-18-22-16-23(17-25-22)27-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23,25-26H,16-18H2/t22-,23+/m0/s1
InChIKeyIEFVBHIMTDOEHO-XZOQPEGZSA-N
XLogP4.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol (CID 11451661) is [(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol is OC[C@@H]1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1.
What is the InChIKey of [(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol?
The InChIKey is IEFVBHIMTDOEHO-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H25NOS/c26-18-22-16-23(17-25-22)27-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23,25-26H,16-18H2/t22-,23+/m0/s1.
What are the key properties of [(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol?
[(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol has a molecular weight of 375.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-tritylsulfanylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 11451661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).