(6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide

C6H8BrNOS — CID 67843069

IUPAC(6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide
SMILESBr.O=C1C[C@H]2SCC=CN12
InChIInChI=1S/C6H7NOS.BrH/c8-5-4-6-7(5)2-1-3-9-6;/h1-2,6H,3-4H2;1H/t6-;/m1./s1
InChIKeyAZXRFJLSMTYBAS-FYZOBXCZSA-N
MW222.11 g/mol
LogP1.38
Rot. Bonds

About (6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide

(6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide (PubChem CID 67843069) has the molecular formula C6H8BrNOS and a molecular weight of 222.11 g/mol. Its IUPAC name is (6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide.

Molecular Properties

Compound Name(6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide
PubChem CID67843069
Molecular FormulaC6H8BrNOS
Molecular Weight222.11 g/mol
Exact Mass220.95
IUPAC Name(6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide
SMILESBr.O=C1C[C@H]2SCC=CN12
InChIInChI=1S/C6H7NOS.BrH/c8-5-4-6-7(5)2-1-3-9-6;/h1-2,6H,3-4H2;1H/t6-;/m1./s1
InChIKeyAZXRFJLSMTYBAS-FYZOBXCZSA-N
XLogP1.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide?
The IUPAC name of (6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide (CID 67843069) is (6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide.
What is the SMILES notation for (6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide?
The canonical SMILES for (6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide is Br.O=C1C[C@H]2SCC=CN12.
What is the InChIKey of (6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide?
The InChIKey is AZXRFJLSMTYBAS-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H7NOS.BrH/c8-5-4-6-7(5)2-1-3-9-6;/h1-2,6H,3-4H2;1H/t6-;/m1./s1.
What are the key properties of (6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide?
(6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide has a molecular weight of 222.11 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one;hydrobromide is sourced from PubChem (CID 67843069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).