6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one

C5H8N2OS — CID 19382611

IUPAC6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESNC1C(=O)N2CCSC12
InChIInChI=1S/C5H8N2OS/c6-3-4(8)7-1-2-9-5(3)7/h3,5H,1-2,6H2
InChIKeyZCEXLMDGVLJRLC-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.77
Rot. Bonds

About 6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one

6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 19382611) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID19382611
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESNC1C(=O)N2CCSC12
InChIInChI=1S/C5H8N2OS/c6-3-4(8)7-1-2-9-5(3)7/h3,5H,1-2,6H2
InChIKeyZCEXLMDGVLJRLC-UHFFFAOYSA-N
XLogP-0.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of 6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one (CID 19382611) is 6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for 6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for 6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one is NC1C(=O)N2CCSC12.
What is the InChIKey of 6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is ZCEXLMDGVLJRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c6-3-4(8)7-1-2-9-5(3)7/h3,5H,1-2,6H2.
What are the key properties of 6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 144.20 g/mol, XLogP of -0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-thia-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 19382611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).