7-thia-1-azaspiro[3.4]octane

C6H11NS — CID 83678915

IUPAC7-thia-1-azaspiro[3.4]octane
SMILESC1CC2(CCSC2)N1
InChIInChI=1S/C6H11NS/c1-3-7-6(1)2-4-8-5-6/h7H,1-5H2
InChIKeyHIYNBFYKTKOYFG-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.86
Rot. Bonds

About 7-thia-1-azaspiro[3.4]octane

7-thia-1-azaspiro[3.4]octane (PubChem CID 83678915) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 7-thia-1-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-thia-1-azaspiro[3.4]octane
PubChem CID83678915
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name7-thia-1-azaspiro[3.4]octane
SMILESC1CC2(CCSC2)N1
InChIInChI=1S/C6H11NS/c1-3-7-6(1)2-4-8-5-6/h7H,1-5H2
InChIKeyHIYNBFYKTKOYFG-UHFFFAOYSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-thia-1-azaspiro[3.4]octane?
The IUPAC name of 7-thia-1-azaspiro[3.4]octane (CID 83678915) is 7-thia-1-azaspiro[3.4]octane.
What is the SMILES notation for 7-thia-1-azaspiro[3.4]octane?
The canonical SMILES for 7-thia-1-azaspiro[3.4]octane is C1CC2(CCSC2)N1.
What is the InChIKey of 7-thia-1-azaspiro[3.4]octane?
The InChIKey is HIYNBFYKTKOYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-7-6(1)2-4-8-5-6/h7H,1-5H2.
What are the key properties of 7-thia-1-azaspiro[3.4]octane?
7-thia-1-azaspiro[3.4]octane has a molecular weight of 129.23 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thia-1-azaspiro[3.4]octane is sourced from PubChem (CID 83678915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).