8-thia-3,11-diazaspiro[5.6]dodecane

C9H18N2S — CID 23135364

IUPAC8-thia-3,11-diazaspiro[5.6]dodecane
SMILESC1CC2(CCN1)CNCCSC2
InChIInChI=1S/C9H18N2S/c1-3-10-4-2-9(1)7-11-5-6-12-8-9/h10-11H,1-8H2
InChIKeyJUFXTNKXZIZRPX-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.69
Rot. Bonds

About 8-thia-3,11-diazaspiro[5.6]dodecane

8-thia-3,11-diazaspiro[5.6]dodecane (PubChem CID 23135364) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 8-thia-3,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-thia-3,11-diazaspiro[5.6]dodecane
PubChem CID23135364
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name8-thia-3,11-diazaspiro[5.6]dodecane
SMILESC1CC2(CCN1)CNCCSC2
InChIInChI=1S/C9H18N2S/c1-3-10-4-2-9(1)7-11-5-6-12-8-9/h10-11H,1-8H2
InChIKeyJUFXTNKXZIZRPX-UHFFFAOYSA-N
XLogP0.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-thia-3,11-diazaspiro[5.6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-thia-3,11-diazaspiro[5.6]dodecane?
The IUPAC name of 8-thia-3,11-diazaspiro[5.6]dodecane (CID 23135364) is 8-thia-3,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-thia-3,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-thia-3,11-diazaspiro[5.6]dodecane is C1CC2(CCN1)CNCCSC2.
What is the InChIKey of 8-thia-3,11-diazaspiro[5.6]dodecane?
The InChIKey is JUFXTNKXZIZRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-10-4-2-9(1)7-11-5-6-12-8-9/h10-11H,1-8H2.
What are the key properties of 8-thia-3,11-diazaspiro[5.6]dodecane?
8-thia-3,11-diazaspiro[5.6]dodecane has a molecular weight of 186.32 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thia-3,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 23135364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).