(2R)-2-amino-3-tritylsulfanylpropan-1-ol

C22H23NOS — CID 10665491

IUPAC(2R)-2-amino-3-tritylsulfanylpropan-1-ol
SMILESN[C@H](CO)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NOS/c23-21(16-24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17,23H2/t21-/m1/s1
InChIKeyZBGBEDOUDIAIHO-OAQYLSRUSA-N
MW349.50 g/mol
LogP4.03
Rot. Bonds7

About (2R)-2-amino-3-tritylsulfanylpropan-1-ol

(2R)-2-amino-3-tritylsulfanylpropan-1-ol (PubChem CID 10665491) has the molecular formula C22H23NOS and a molecular weight of 349.50 g/mol. Its IUPAC name is (2R)-2-amino-3-tritylsulfanylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-tritylsulfanylpropan-1-ol
PubChem CID10665491
Molecular FormulaC22H23NOS
Molecular Weight349.50 g/mol
Exact Mass349.15
IUPAC Name(2R)-2-amino-3-tritylsulfanylpropan-1-ol
SMILESN[C@H](CO)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NOS/c23-21(16-24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17,23H2/t21-/m1/s1
InChIKeyZBGBEDOUDIAIHO-OAQYLSRUSA-N
XLogP4.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.03
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 (2R)-2-amino-3-tritylsulfanylpropan-1-ol?
The IUPAC name of (2R)-2-amino-3-tritylsulfanylpropan-1-ol (CID 10665491) is (2R)-2-amino-3-tritylsulfanylpropan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-tritylsulfanylpropan-1-ol?
The canonical SMILES for (2R)-2-amino-3-tritylsulfanylpropan-1-ol is N[C@H](CO)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3-tritylsulfanylpropan-1-ol?
The InChIKey is ZBGBEDOUDIAIHO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23NOS/c23-21(16-24)17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17,23H2/t21-/m1/s1.
What are the key properties of (2R)-2-amino-3-tritylsulfanylpropan-1-ol?
(2R)-2-amino-3-tritylsulfanylpropan-1-ol has a molecular weight of 349.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-tritylsulfanylpropan-1-ol is sourced from PubChem (CID 10665491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).