1-methyl-4-tritylsulfanylazetidin-2-one

C23H21NOS — CID 21290535

IUPAC1-methyl-4-tritylsulfanylazetidin-2-one
SMILESCN1C(=O)CC1SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NOS/c1-24-21(25)17-22(24)26-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,22H,17H2,1H3
InChIKeyHYFPMJIWQQSKND-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.90
Rot. Bonds5

About 1-methyl-4-tritylsulfanylazetidin-2-one

1-methyl-4-tritylsulfanylazetidin-2-one (PubChem CID 21290535) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-methyl-4-tritylsulfanylazetidin-2-one.

Molecular Properties

Compound Name1-methyl-4-tritylsulfanylazetidin-2-one
PubChem CID21290535
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC Name1-methyl-4-tritylsulfanylazetidin-2-one
SMILESCN1C(=O)CC1SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NOS/c1-24-21(25)17-22(24)26-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,22H,17H2,1H3
InChIKeyHYFPMJIWQQSKND-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-methyl-4-tritylsulfanylazetidin-2-one?
The IUPAC name of 1-methyl-4-tritylsulfanylazetidin-2-one (CID 21290535) is 1-methyl-4-tritylsulfanylazetidin-2-one.
What is the SMILES notation for 1-methyl-4-tritylsulfanylazetidin-2-one?
The canonical SMILES for 1-methyl-4-tritylsulfanylazetidin-2-one is CN1C(=O)CC1SC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-methyl-4-tritylsulfanylazetidin-2-one?
The InChIKey is HYFPMJIWQQSKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NOS/c1-24-21(25)17-22(24)26-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,22H,17H2,1H3.
What are the key properties of 1-methyl-4-tritylsulfanylazetidin-2-one?
1-methyl-4-tritylsulfanylazetidin-2-one has a molecular weight of 359.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-tritylsulfanylazetidin-2-one is sourced from PubChem (CID 21290535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).