4-ethylsulfanylazetidin-2-one

C5H9NOS — CID 14050376

IUPAC4-ethylsulfanylazetidin-2-one
SMILESCCSC1CC(=O)N1
InChIInChI=1S/C5H9NOS/c1-2-8-5-3-4(7)6-5/h5H,2-3H2,1H3,(H,6,7)
InChIKeyIKTLNMGIEFESAA-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.59
Rot. Bonds2

About 4-ethylsulfanylazetidin-2-one

4-ethylsulfanylazetidin-2-one (PubChem CID 14050376) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 4-ethylsulfanylazetidin-2-one.

Molecular Properties

Compound Name4-ethylsulfanylazetidin-2-one
PubChem CID14050376
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name4-ethylsulfanylazetidin-2-one
SMILESCCSC1CC(=O)N1
InChIInChI=1S/C5H9NOS/c1-2-8-5-3-4(7)6-5/h5H,2-3H2,1H3,(H,6,7)
InChIKeyIKTLNMGIEFESAA-UHFFFAOYSA-N
XLogP0.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanylazetidin-2-one?
The IUPAC name of 4-ethylsulfanylazetidin-2-one (CID 14050376) is 4-ethylsulfanylazetidin-2-one.
What is the SMILES notation for 4-ethylsulfanylazetidin-2-one?
The canonical SMILES for 4-ethylsulfanylazetidin-2-one is CCSC1CC(=O)N1.
What is the InChIKey of 4-ethylsulfanylazetidin-2-one?
The InChIKey is IKTLNMGIEFESAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-2-8-5-3-4(7)6-5/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of 4-ethylsulfanylazetidin-2-one?
4-ethylsulfanylazetidin-2-one has a molecular weight of 131.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanylazetidin-2-one is sourced from PubChem (CID 14050376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).