6-thia-2,9-diazaspiro[3.7]undecane

C8H16N2S — CID 118210511

IUPAC6-thia-2,9-diazaspiro[3.7]undecane
SMILESC1CSCC2(CCN1)CNC2
InChIInChI=1S/C8H16N2S/c1-2-9-3-4-11-7-8(1)5-10-6-8/h9-10H,1-7H2
InChIKeyCJRBSZUYIWWFMY-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.30
Rot. Bonds

About 6-thia-2,9-diazaspiro[3.7]undecane

6-thia-2,9-diazaspiro[3.7]undecane (PubChem CID 118210511) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 6-thia-2,9-diazaspiro[3.7]undecane.

Molecular Properties

Compound Name6-thia-2,9-diazaspiro[3.7]undecane
PubChem CID118210511
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name6-thia-2,9-diazaspiro[3.7]undecane
SMILESC1CSCC2(CCN1)CNC2
InChIInChI=1S/C8H16N2S/c1-2-9-3-4-11-7-8(1)5-10-6-8/h9-10H,1-7H2
InChIKeyCJRBSZUYIWWFMY-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 6-thia-2,9-diazaspiro[3.7]undecane?
The IUPAC name of 6-thia-2,9-diazaspiro[3.7]undecane (CID 118210511) is 6-thia-2,9-diazaspiro[3.7]undecane.
What is the SMILES notation for 6-thia-2,9-diazaspiro[3.7]undecane?
The canonical SMILES for 6-thia-2,9-diazaspiro[3.7]undecane is C1CSCC2(CCN1)CNC2.
What is the InChIKey of 6-thia-2,9-diazaspiro[3.7]undecane?
The InChIKey is CJRBSZUYIWWFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-2-9-3-4-11-7-8(1)5-10-6-8/h9-10H,1-7H2.
What are the key properties of 6-thia-2,9-diazaspiro[3.7]undecane?
6-thia-2,9-diazaspiro[3.7]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 6-thia-2,9-diazaspiro[3.7]undecane is sourced from PubChem (CID 118210511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).