4-(2-hydroxyethylsulfanyl)azetidin-2-one

C5H9NO2S — CID 13137484

IUPAC4-(2-hydroxyethylsulfanyl)azetidin-2-one
SMILESO=C1CC(SCCO)N1
InChIInChI=1S/C5H9NO2S/c7-1-2-9-5-3-4(8)6-5/h5,7H,1-3H2,(H,6,8)
InChIKeyZDORRTORSGJIIM-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.44
Rot. Bonds3

About 4-(2-hydroxyethylsulfanyl)azetidin-2-one

4-(2-hydroxyethylsulfanyl)azetidin-2-one (PubChem CID 13137484) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)azetidin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)azetidin-2-one
PubChem CID13137484
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name4-(2-hydroxyethylsulfanyl)azetidin-2-one
SMILESO=C1CC(SCCO)N1
InChIInChI=1S/C5H9NO2S/c7-1-2-9-5-3-4(8)6-5/h5,7H,1-3H2,(H,6,8)
InChIKeyZDORRTORSGJIIM-UHFFFAOYSA-N
XLogP-0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)azetidin-2-one?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)azetidin-2-one (CID 13137484) is 4-(2-hydroxyethylsulfanyl)azetidin-2-one.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)azetidin-2-one?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)azetidin-2-one is O=C1CC(SCCO)N1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)azetidin-2-one?
The InChIKey is ZDORRTORSGJIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c7-1-2-9-5-3-4(8)6-5/h5,7H,1-3H2,(H,6,8).
What are the key properties of 4-(2-hydroxyethylsulfanyl)azetidin-2-one?
4-(2-hydroxyethylsulfanyl)azetidin-2-one has a molecular weight of 147.20 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)azetidin-2-one is sourced from PubChem (CID 13137484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).