2-thia-8-azaspiro[5.5]undecane

C9H17NS — CID 82411962

IUPAC2-thia-8-azaspiro[5.5]undecane
SMILESC1CNCC2(C1)CCCSC2
InChIInChI=1S/C9H17NS/c1-3-9(7-10-5-1)4-2-6-11-8-9/h10H,1-8H2
InChIKeyBPYSKWYTEHMCPR-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.88
Rot. Bonds

About 2-thia-8-azaspiro[5.5]undecane

2-thia-8-azaspiro[5.5]undecane (PubChem CID 82411962) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-thia-8-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-thia-8-azaspiro[5.5]undecane
PubChem CID82411962
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-thia-8-azaspiro[5.5]undecane
SMILESC1CNCC2(C1)CCCSC2
InChIInChI=1S/C9H17NS/c1-3-9(7-10-5-1)4-2-6-11-8-9/h10H,1-8H2
InChIKeyBPYSKWYTEHMCPR-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 2-thia-8-azaspiro[5.5]undecane?
The IUPAC name of 2-thia-8-azaspiro[5.5]undecane (CID 82411962) is 2-thia-8-azaspiro[5.5]undecane.
What is the SMILES notation for 2-thia-8-azaspiro[5.5]undecane?
The canonical SMILES for 2-thia-8-azaspiro[5.5]undecane is C1CNCC2(C1)CCCSC2.
What is the InChIKey of 2-thia-8-azaspiro[5.5]undecane?
The InChIKey is BPYSKWYTEHMCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-9(7-10-5-1)4-2-6-11-8-9/h10H,1-8H2.
What are the key properties of 2-thia-8-azaspiro[5.5]undecane?
2-thia-8-azaspiro[5.5]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 2-thia-8-azaspiro[5.5]undecane is sourced from PubChem (CID 82411962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).