1-thia-9-azaspiro[4.6]undecane

C9H17NS — CID 118209963

IUPAC1-thia-9-azaspiro[4.6]undecane
SMILESC1CNCCC2(C1)CCCS2
InChIInChI=1S/C9H17NS/c1-3-9(4-2-8-11-9)5-7-10-6-1/h10H,1-8H2
InChIKeyRXOJOWCHZRBPHN-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.03
Rot. Bonds

About 1-thia-9-azaspiro[4.6]undecane

1-thia-9-azaspiro[4.6]undecane (PubChem CID 118209963) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-thia-9-azaspiro[4.6]undecane.

Molecular Properties

Compound Name1-thia-9-azaspiro[4.6]undecane
PubChem CID118209963
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name1-thia-9-azaspiro[4.6]undecane
SMILESC1CNCCC2(C1)CCCS2
InChIInChI=1S/C9H17NS/c1-3-9(4-2-8-11-9)5-7-10-6-1/h10H,1-8H2
InChIKeyRXOJOWCHZRBPHN-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thia-9-azaspiro[4.6]undecane?
The IUPAC name of 1-thia-9-azaspiro[4.6]undecane (CID 118209963) is 1-thia-9-azaspiro[4.6]undecane.
What is the SMILES notation for 1-thia-9-azaspiro[4.6]undecane?
The canonical SMILES for 1-thia-9-azaspiro[4.6]undecane is C1CNCCC2(C1)CCCS2.
What is the InChIKey of 1-thia-9-azaspiro[4.6]undecane?
The InChIKey is RXOJOWCHZRBPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-9(4-2-8-11-9)5-7-10-6-1/h10H,1-8H2.
What are the key properties of 1-thia-9-azaspiro[4.6]undecane?
1-thia-9-azaspiro[4.6]undecane has a molecular weight of 171.31 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-9-azaspiro[4.6]undecane is sourced from PubChem (CID 118209963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).