6-thia-9-azaspiro[3.7]undecane

C9H17NS — CID 118210068

IUPAC6-thia-9-azaspiro[3.7]undecane
SMILESC1CC2(C1)CCNCCSC2
InChIInChI=1S/C9H17NS/c1-2-9(3-1)4-5-10-6-7-11-8-9/h10H,1-8H2
InChIKeyOXCJFYPVAGYTSL-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.88
Rot. Bonds

About 6-thia-9-azaspiro[3.7]undecane

6-thia-9-azaspiro[3.7]undecane (PubChem CID 118210068) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 6-thia-9-azaspiro[3.7]undecane.

Molecular Properties

Compound Name6-thia-9-azaspiro[3.7]undecane
PubChem CID118210068
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name6-thia-9-azaspiro[3.7]undecane
SMILESC1CC2(C1)CCNCCSC2
InChIInChI=1S/C9H17NS/c1-2-9(3-1)4-5-10-6-7-11-8-9/h10H,1-8H2
InChIKeyOXCJFYPVAGYTSL-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-thia-9-azaspiro[3.7]undecane?
The IUPAC name of 6-thia-9-azaspiro[3.7]undecane (CID 118210068) is 6-thia-9-azaspiro[3.7]undecane.
What is the SMILES notation for 6-thia-9-azaspiro[3.7]undecane?
The canonical SMILES for 6-thia-9-azaspiro[3.7]undecane is C1CC2(C1)CCNCCSC2.
What is the InChIKey of 6-thia-9-azaspiro[3.7]undecane?
The InChIKey is OXCJFYPVAGYTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-9(3-1)4-5-10-6-7-11-8-9/h10H,1-8H2.
What are the key properties of 6-thia-9-azaspiro[3.7]undecane?
6-thia-9-azaspiro[3.7]undecane has a molecular weight of 171.31 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thia-9-azaspiro[3.7]undecane is sourced from PubChem (CID 118210068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).