7-thia-1-azaspiro[3.5]nonane

C₇H₁₃NS — CID 83678916

About 7-thia-1-azaspiro[3.5]nonane

7-thia-1-azaspiro[3.5]nonane (PubChem CID 83678916) has the molecular formula C₇H₁₃NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 7-thia-1-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 7-thia-1-azaspiro[3.5]nonane
• PubChem CID: 83678916
• Molecular Formula: C₇H₁₃NS
• Molecular Weight: 143.25 g/mol
• Exact Mass: 143.08
• IUPAC Name: 7-thia-1-azaspiro[3.5]nonane
• SMILES: C1CC2(CCSCC2)N1
• InChI: InChI=1S/C7H13NS/c1-4-8-7(1)2-5-9-6-3-7/h8H,1-6H2
• InChIKey: PVCAOJSCFWOICP-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	143.25
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-thia-1-azaspiro[3.5]nonane?

The IUPAC name of 7-thia-1-azaspiro[3.5]nonane (CID 83678916) is 7-thia-1-azaspiro[3.5]nonane.

What is the SMILES notation for 7-thia-1-azaspiro[3.5]nonane?

The canonical SMILES for 7-thia-1-azaspiro[3.5]nonane is C1CC2(CCSCC2)N1.

What is the InChIKey of 7-thia-1-azaspiro[3.5]nonane?

The InChIKey is PVCAOJSCFWOICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-8-7(1)2-5-9-6-3-7/h8H,1-6H2.

What are the key properties of 7-thia-1-azaspiro[3.5]nonane?

7-thia-1-azaspiro[3.5]nonane has a molecular weight of 143.25 g/mol, XLogP of 1.25, 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[3.5]nonane is sourced from PubChem (CID 83678916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 83678916 — identifiers, structure, computed properties (public domain)

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