8-thiaspiro[4.5]decane

C9H16S — CID 118209870

IUPAC8-thiaspiro[4.5]decane
SMILESC1CCC2(C1)CCSCC2
InChIInChI=1S/C9H16S/c1-2-4-9(3-1)5-7-10-8-6-9/h1-8H2
InChIKeySQIKLUOMQXHAGA-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.07
Rot. Bonds

About 8-thiaspiro[4.5]decane

8-thiaspiro[4.5]decane (PubChem CID 118209870) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 8-thiaspiro[4.5]decane.

Molecular Properties

Compound Name8-thiaspiro[4.5]decane
PubChem CID118209870
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name8-thiaspiro[4.5]decane
SMILESC1CCC2(C1)CCSCC2
InChIInChI=1S/C9H16S/c1-2-4-9(3-1)5-7-10-8-6-9/h1-8H2
InChIKeySQIKLUOMQXHAGA-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-thiaspiro[4.5]decane 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 8-thiaspiro[4.5]decane?
The IUPAC name of 8-thiaspiro[4.5]decane (CID 118209870) is 8-thiaspiro[4.5]decane.
What is the SMILES notation for 8-thiaspiro[4.5]decane?
The canonical SMILES for 8-thiaspiro[4.5]decane is C1CCC2(C1)CCSCC2.
What is the InChIKey of 8-thiaspiro[4.5]decane?
The InChIKey is SQIKLUOMQXHAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-2-4-9(3-1)5-7-10-8-6-9/h1-8H2.
What are the key properties of 8-thiaspiro[4.5]decane?
8-thiaspiro[4.5]decane has a molecular weight of 156.29 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thiaspiro[4.5]decane is sourced from PubChem (CID 118209870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).