10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane

C₁₀H₂₀N₂S — CID 13092757

About 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane

10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane (PubChem CID 13092757) has the molecular formula C₁₀H₂₀N₂S and a molecular weight of 200.35 g/mol. Its IUPAC name is 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane
• PubChem CID: 13092757
• Molecular Formula: C₁₀H₂₀N₂S
• Molecular Weight: 200.35 g/mol
• Exact Mass: 200.13
• IUPAC Name: 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane
• SMILES: CC1(C)CC2(CCS1)CNCCN2
• InChI: InChI=1S/C10H20N2S/c1-9(2)7-10(3-6-13-9)8-11-4-5-12-10/h11-12H,3-8H2,1-2H3
• InChIKey: ZSURYFWAAAIHGK-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.35
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane?

The IUPAC name of 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane (CID 13092757) is 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane.

What is the SMILES notation for 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane?

The canonical SMILES for 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane is CC1(C)CC2(CCS1)CNCCN2.

What is the InChIKey of 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane?

The InChIKey is ZSURYFWAAAIHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-9(2)7-10(3-6-13-9)8-11-4-5-12-10/h11-12H,3-8H2,1-2H3.

What are the key properties of 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane?

10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane has a molecular weight of 200.35 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 13092757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13092757 — identifiers, structure, computed properties (public domain)

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