4-thia-1,8-diazaspiro[5.5]undecane

C8H16N2S — CID 118210156

IUPAC4-thia-1,8-diazaspiro[5.5]undecane
SMILESC1CNCC2(C1)CSCCN2
InChIInChI=1S/C8H16N2S/c1-2-8(6-9-3-1)7-11-5-4-10-8/h9-10H,1-7H2
InChIKeyFPHJGYXXIXMYLJ-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.44
Rot. Bonds

About 4-thia-1,8-diazaspiro[5.5]undecane

4-thia-1,8-diazaspiro[5.5]undecane (PubChem CID 118210156) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 4-thia-1,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-thia-1,8-diazaspiro[5.5]undecane
PubChem CID118210156
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name4-thia-1,8-diazaspiro[5.5]undecane
SMILESC1CNCC2(C1)CSCCN2
InChIInChI=1S/C8H16N2S/c1-2-8(6-9-3-1)7-11-5-4-10-8/h9-10H,1-7H2
InChIKeyFPHJGYXXIXMYLJ-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 4-thia-1,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-thia-1,8-diazaspiro[5.5]undecane (CID 118210156) is 4-thia-1,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-thia-1,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-thia-1,8-diazaspiro[5.5]undecane is C1CNCC2(C1)CSCCN2.
What is the InChIKey of 4-thia-1,8-diazaspiro[5.5]undecane?
The InChIKey is FPHJGYXXIXMYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-2-8(6-9-3-1)7-11-5-4-10-8/h9-10H,1-7H2.
What are the key properties of 4-thia-1,8-diazaspiro[5.5]undecane?
4-thia-1,8-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 4-thia-1,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118210156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).