2-thia-5,9-diazaspiro[6.6]tridecane

C10H20N2S — CID 23135206

IUPAC2-thia-5,9-diazaspiro[6.6]tridecane
SMILESC1CCC2(CNC1)CNCCSC2
InChIInChI=1S/C10H20N2S/c1-2-4-11-7-10(3-1)8-12-5-6-13-9-10/h11-12H,1-9H2
InChIKeyFITWGHOIHFMWAZ-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.08
Rot. Bonds

About 2-thia-5,9-diazaspiro[6.6]tridecane

2-thia-5,9-diazaspiro[6.6]tridecane (PubChem CID 23135206) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-thia-5,9-diazaspiro[6.6]tridecane.

Molecular Properties

Compound Name2-thia-5,9-diazaspiro[6.6]tridecane
PubChem CID23135206
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-thia-5,9-diazaspiro[6.6]tridecane
SMILESC1CCC2(CNC1)CNCCSC2
InChIInChI=1S/C10H20N2S/c1-2-4-11-7-10(3-1)8-12-5-6-13-9-10/h11-12H,1-9H2
InChIKeyFITWGHOIHFMWAZ-UHFFFAOYSA-N
XLogP1.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-thia-5,9-diazaspiro[6.6]tridecane 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 2-thia-5,9-diazaspiro[6.6]tridecane?
The IUPAC name of 2-thia-5,9-diazaspiro[6.6]tridecane (CID 23135206) is 2-thia-5,9-diazaspiro[6.6]tridecane.
What is the SMILES notation for 2-thia-5,9-diazaspiro[6.6]tridecane?
The canonical SMILES for 2-thia-5,9-diazaspiro[6.6]tridecane is C1CCC2(CNC1)CNCCSC2.
What is the InChIKey of 2-thia-5,9-diazaspiro[6.6]tridecane?
The InChIKey is FITWGHOIHFMWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-4-11-7-10(3-1)8-12-5-6-13-9-10/h11-12H,1-9H2.
What are the key properties of 2-thia-5,9-diazaspiro[6.6]tridecane?
2-thia-5,9-diazaspiro[6.6]tridecane has a molecular weight of 200.35 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-5,9-diazaspiro[6.6]tridecane is sourced from PubChem (CID 23135206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).