(3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one

C15H13NOS — CID 13074674

IUPAC(3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)[C@H]1Sc1ccccc1
InChIInChI=1S/C15H13NOS/c17-15-14(18-12-9-5-2-6-10-12)13(16-15)11-7-3-1-4-8-11/h1-10,13-14H,(H,16,17)/t13-,14+/m0/s1
InChIKeyKUYKNKTVKKBSBM-UONOGXRCSA-N
MW255.34 g/mol
LogP3.02
Rot. Bonds3

About (3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one

(3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one (PubChem CID 13074674) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is (3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one
PubChem CID13074674
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name(3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)[C@H]1Sc1ccccc1
InChIInChI=1S/C15H13NOS/c17-15-14(18-12-9-5-2-6-10-12)13(16-15)11-7-3-1-4-8-11/h1-10,13-14H,(H,16,17)/t13-,14+/m0/s1
InChIKeyKUYKNKTVKKBSBM-UONOGXRCSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one?
The IUPAC name of (3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one (CID 13074674) is (3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one is O=C1N[C@@H](c2ccccc2)[C@H]1Sc1ccccc1.
What is the InChIKey of (3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one?
The InChIKey is KUYKNKTVKKBSBM-UONOGXRCSA-N. The full InChI is InChI=1S/C15H13NOS/c17-15-14(18-12-9-5-2-6-10-12)13(16-15)11-7-3-1-4-8-11/h1-10,13-14H,(H,16,17)/t13-,14+/m0/s1.
What are the key properties of (3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one?
(3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one has a molecular weight of 255.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-phenyl-3-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 13074674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).