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

C8H16N2S — CID 82411744

IUPAC9-thia-1,4-diazaspiro[5.5]undecane
SMILESC1CNC2(CCSCC2)CN1
InChIInChI=1S/C8H16N2S/c1-5-11-6-2-8(1)7-9-3-4-10-8/h9-10H,1-7H2
InChIKeyUZYGNXKMNLXDKF-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.44
Rot. Bonds

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

9-thia-1,4-diazaspiro[5.5]undecane (PubChem CID 82411744) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 9-thia-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-thia-1,4-diazaspiro[5.5]undecane
PubChem CID82411744
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name9-thia-1,4-diazaspiro[5.5]undecane
SMILESC1CNC2(CCSCC2)CN1
InChIInChI=1S/C8H16N2S/c1-5-11-6-2-8(1)7-9-3-4-10-8/h9-10H,1-7H2
InChIKeyUZYGNXKMNLXDKF-UHFFFAOYSA-N
XLogP0.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-thia-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 9-thia-1,4-diazaspiro[5.5]undecane (CID 82411744) is 9-thia-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-thia-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 9-thia-1,4-diazaspiro[5.5]undecane is C1CNC2(CCSCC2)CN1.
What is the InChIKey of 9-thia-1,4-diazaspiro[5.5]undecane?
The InChIKey is UZYGNXKMNLXDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-5-11-6-2-8(1)7-9-3-4-10-8/h9-10H,1-7H2.
What are the key properties of 9-thia-1,4-diazaspiro[5.5]undecane?
9-thia-1,4-diazaspiro[5.5]undecane has a molecular weight of 172.30 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-thia-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 82411744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).