6-thia-9-azaspiro[3.7]undecane

C₉H₁₇NS — CID 118210068

About 6-thia-9-azaspiro[3.7]undecane

6-thia-9-azaspiro[3.7]undecane (PubChem CID 118210068) has the molecular formula C₉H₁₇NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 6-thia-9-azaspiro[3.7]undecane.

Molecular Properties

• Compound Name: 6-thia-9-azaspiro[3.7]undecane
• PubChem CID: 118210068
• Molecular Formula: C₉H₁₇NS
• Molecular Weight: 171.31 g/mol
• Exact Mass: 171.11
• IUPAC Name: 6-thia-9-azaspiro[3.7]undecane
• SMILES: C1CC2(C1)CCNCCSC2
• InChI: InChI=1S/C9H17NS/c1-2-9(3-1)4-5-10-6-7-11-8-9/h10H,1-8H2
• InChIKey: OXCJFYPVAGYTSL-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.31
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-thia-9-azaspiro[3.7]undecane?

The IUPAC name of 6-thia-9-azaspiro[3.7]undecane (CID 118210068) is 6-thia-9-azaspiro[3.7]undecane.

What is the SMILES notation for 6-thia-9-azaspiro[3.7]undecane?

The canonical SMILES for 6-thia-9-azaspiro[3.7]undecane is C1CC2(C1)CCNCCSC2.

What is the InChIKey of 6-thia-9-azaspiro[3.7]undecane?

The InChIKey is OXCJFYPVAGYTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-9(3-1)4-5-10-6-7-11-8-9/h10H,1-8H2.

What are the key properties of 6-thia-9-azaspiro[3.7]undecane?

6-thia-9-azaspiro[3.7]undecane has a molecular weight of 171.31 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-thia-9-azaspiro[3.7]undecane is sourced from PubChem (CID 118210068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118210068 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.