[(1R)-1-amino-2-tritylsulfanylethyl] formate

C22H21NO2S — CID 88869957

IUPAC[(1R)-1-amino-2-tritylsulfanylethyl] formate
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)OC=O
InChIInChI=1S/C22H21NO2S/c23-21(25-17-24)16-26-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21H,16,23H2/t21-/m1/s1
InChIKeyNPEJDDYZTOBYPA-OAQYLSRUSA-N
MW363.48 g/mol
LogP4.17
Rot. Bonds8

About [(1R)-1-amino-2-tritylsulfanylethyl] formate

[(1R)-1-amino-2-tritylsulfanylethyl] formate (PubChem CID 88869957) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is [(1R)-1-amino-2-tritylsulfanylethyl] formate.

Molecular Properties

Compound Name[(1R)-1-amino-2-tritylsulfanylethyl] formate
PubChem CID88869957
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name[(1R)-1-amino-2-tritylsulfanylethyl] formate
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)OC=O
InChIInChI=1S/C22H21NO2S/c23-21(25-17-24)16-26-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21H,16,23H2/t21-/m1/s1
InChIKeyNPEJDDYZTOBYPA-OAQYLSRUSA-N
XLogP4.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-2-tritylsulfanylethyl] formate?
The IUPAC name of [(1R)-1-amino-2-tritylsulfanylethyl] formate (CID 88869957) is [(1R)-1-amino-2-tritylsulfanylethyl] formate.
What is the SMILES notation for [(1R)-1-amino-2-tritylsulfanylethyl] formate?
The canonical SMILES for [(1R)-1-amino-2-tritylsulfanylethyl] formate is N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)OC=O.
What is the InChIKey of [(1R)-1-amino-2-tritylsulfanylethyl] formate?
The InChIKey is NPEJDDYZTOBYPA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21NO2S/c23-21(25-17-24)16-26-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21H,16,23H2/t21-/m1/s1.
What are the key properties of [(1R)-1-amino-2-tritylsulfanylethyl] formate?
[(1R)-1-amino-2-tritylsulfanylethyl] formate has a molecular weight of 363.48 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-2-tritylsulfanylethyl] formate is sourced from PubChem (CID 88869957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).