2-thia-7,10-diazaspiro[4.6]undecane

C8H16N2S — CID 122672037

IUPAC2-thia-7,10-diazaspiro[4.6]undecane
SMILESC1CNCC2(CCSC2)CN1
InChIInChI=1S/C8H16N2S/c1-4-11-7-8(1)5-9-2-3-10-6-8/h9-10H,1-7H2
InChIKeyOUWYPWWKAZJGGJ-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.30
Rot. Bonds

About 2-thia-7,10-diazaspiro[4.6]undecane

2-thia-7,10-diazaspiro[4.6]undecane (PubChem CID 122672037) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-thia-7,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name2-thia-7,10-diazaspiro[4.6]undecane
PubChem CID122672037
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-thia-7,10-diazaspiro[4.6]undecane
SMILESC1CNCC2(CCSC2)CN1
InChIInChI=1S/C8H16N2S/c1-4-11-7-8(1)5-9-2-3-10-6-8/h9-10H,1-7H2
InChIKeyOUWYPWWKAZJGGJ-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thia-7,10-diazaspiro[4.6]undecane?
The IUPAC name of 2-thia-7,10-diazaspiro[4.6]undecane (CID 122672037) is 2-thia-7,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 2-thia-7,10-diazaspiro[4.6]undecane?
The canonical SMILES for 2-thia-7,10-diazaspiro[4.6]undecane is C1CNCC2(CCSC2)CN1.
What is the InChIKey of 2-thia-7,10-diazaspiro[4.6]undecane?
The InChIKey is OUWYPWWKAZJGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-4-11-7-8(1)5-9-2-3-10-6-8/h9-10H,1-7H2.
What are the key properties of 2-thia-7,10-diazaspiro[4.6]undecane?
2-thia-7,10-diazaspiro[4.6]undecane has a molecular weight of 172.30 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-7,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 122672037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).