5-thia-9-azaspiro[3.7]undecane

C9H17NS — CID 118210423

IUPAC5-thia-9-azaspiro[3.7]undecane
SMILESC1CNCCC2(CCC2)SC1
InChIInChI=1S/C9H17NS/c1-3-9(4-1)5-7-10-6-2-8-11-9/h10H,1-8H2
InChIKeyQWDSEPLYTCYXEA-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.03
Rot. Bonds

About 5-thia-9-azaspiro[3.7]undecane

5-thia-9-azaspiro[3.7]undecane (PubChem CID 118210423) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 5-thia-9-azaspiro[3.7]undecane.

Molecular Properties

Compound Name5-thia-9-azaspiro[3.7]undecane
PubChem CID118210423
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name5-thia-9-azaspiro[3.7]undecane
SMILESC1CNCCC2(CCC2)SC1
InChIInChI=1S/C9H17NS/c1-3-9(4-1)5-7-10-6-2-8-11-9/h10H,1-8H2
InChIKeyQWDSEPLYTCYXEA-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

Analyze 5-thia-9-azaspiro[3.7]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-thia-9-azaspiro[3.7]undecane?
The IUPAC name of 5-thia-9-azaspiro[3.7]undecane (CID 118210423) is 5-thia-9-azaspiro[3.7]undecane.
What is the SMILES notation for 5-thia-9-azaspiro[3.7]undecane?
The canonical SMILES for 5-thia-9-azaspiro[3.7]undecane is C1CNCCC2(CCC2)SC1.
What is the InChIKey of 5-thia-9-azaspiro[3.7]undecane?
The InChIKey is QWDSEPLYTCYXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-9(4-1)5-7-10-6-2-8-11-9/h10H,1-8H2.
What are the key properties of 5-thia-9-azaspiro[3.7]undecane?
5-thia-9-azaspiro[3.7]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 5-thia-9-azaspiro[3.7]undecane is sourced from PubChem (CID 118210423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).