(5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one

C5H7NOS — CID 22960059

IUPAC(5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESO=C1C[C@@H]2SCCN12
InChIInChI=1S/C5H7NOS/c7-4-3-5-6(4)1-2-8-5/h5H,1-3H2/t5-/m0/s1
InChIKeyWSHJJCPTKWSMRR-YFKPBYRVSA-N
MW129.18 g/mol
LogP0.29
Rot. Bonds

About (5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one

(5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 22960059) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is (5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID22960059
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name(5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESO=C1C[C@@H]2SCCN12
InChIInChI=1S/C5H7NOS/c7-4-3-5-6(4)1-2-8-5/h5H,1-3H2/t5-/m0/s1
InChIKeyWSHJJCPTKWSMRR-YFKPBYRVSA-N
XLogP0.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one (CID 22960059) is (5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one is O=C1C[C@@H]2SCCN12.
What is the InChIKey of (5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is WSHJJCPTKWSMRR-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H7NOS/c7-4-3-5-6(4)1-2-8-5/h5H,1-3H2/t5-/m0/s1.
What are the key properties of (5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
(5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 129.18 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-thia-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 22960059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).