(8S)-1-oxaspiro[4.4]nonane-8-thiol

C8H14OS — CID 143030245

IUPAC(8S)-1-oxaspiro[4.4]nonane-8-thiol
SMILESS[C@H]1CCC2(CCCO2)C1
InChIInChI=1S/C8H14OS/c10-7-2-4-8(6-7)3-1-5-9-8/h7,10H,1-6H2/t7-,8?/m0/s1
InChIKeyMTABVCVWZCGACT-JAMMHHFISA-N
MW158.27 g/mol
LogP2.02
Rot. Bonds

About (8S)-1-oxaspiro[4.4]nonane-8-thiol

(8S)-1-oxaspiro[4.4]nonane-8-thiol (PubChem CID 143030245) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (8S)-1-oxaspiro[4.4]nonane-8-thiol.

Molecular Properties

Compound Name(8S)-1-oxaspiro[4.4]nonane-8-thiol
PubChem CID143030245
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(8S)-1-oxaspiro[4.4]nonane-8-thiol
SMILESS[C@H]1CCC2(CCCO2)C1
InChIInChI=1S/C8H14OS/c10-7-2-4-8(6-7)3-1-5-9-8/h7,10H,1-6H2/t7-,8?/m0/s1
InChIKeyMTABVCVWZCGACT-JAMMHHFISA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (8S)-1-oxaspiro[4.4]nonane-8-thiol 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 (8S)-1-oxaspiro[4.4]nonane-8-thiol?
The IUPAC name of (8S)-1-oxaspiro[4.4]nonane-8-thiol (CID 143030245) is (8S)-1-oxaspiro[4.4]nonane-8-thiol.
What is the SMILES notation for (8S)-1-oxaspiro[4.4]nonane-8-thiol?
The canonical SMILES for (8S)-1-oxaspiro[4.4]nonane-8-thiol is S[C@H]1CCC2(CCCO2)C1.
What is the InChIKey of (8S)-1-oxaspiro[4.4]nonane-8-thiol?
The InChIKey is MTABVCVWZCGACT-JAMMHHFISA-N. The full InChI is InChI=1S/C8H14OS/c10-7-2-4-8(6-7)3-1-5-9-8/h7,10H,1-6H2/t7-,8?/m0/s1.
What are the key properties of (8S)-1-oxaspiro[4.4]nonane-8-thiol?
(8S)-1-oxaspiro[4.4]nonane-8-thiol has a molecular weight of 158.27 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1-oxaspiro[4.4]nonane-8-thiol is sourced from PubChem (CID 143030245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).