4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one

C5H7NO2S — CID 22336065

IUPAC4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESO=C1CC2N1CCS2=O
InChIInChI=1S/C5H7NO2S/c7-4-3-5-6(4)1-2-9(5)8/h5H,1-3H2
InChIKeyYGOAWQXJVXSSGU-UHFFFAOYSA-N
MW145.18 g/mol
LogP-0.69
Rot. Bonds

About 4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one

4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 22336065) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID22336065
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESO=C1CC2N1CCS2=O
InChIInChI=1S/C5H7NO2S/c7-4-3-5-6(4)1-2-9(5)8/h5H,1-3H2
InChIKeyYGOAWQXJVXSSGU-UHFFFAOYSA-N
XLogP-0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of 4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one (CID 22336065) is 4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for 4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for 4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one is O=C1CC2N1CCS2=O.
What is the InChIKey of 4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is YGOAWQXJVXSSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c7-4-3-5-6(4)1-2-9(5)8/h5H,1-3H2.
What are the key properties of 4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one?
4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 145.18 g/mol, XLogP of -0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 22336065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).