8-thia-2-azaspiro[4.5]decan-3-one

C8H13NOS — CID 66106299

IUPAC8-thia-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCSCC2)CN1
InChIInChI=1S/C8H13NOS/c10-7-5-8(6-9-7)1-3-11-4-2-8/h1-6H2,(H,9,10)
InChIKeyKPLMOZBLOGGIRM-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.02
Rot. Bonds

About 8-thia-2-azaspiro[4.5]decan-3-one

8-thia-2-azaspiro[4.5]decan-3-one (PubChem CID 66106299) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 8-thia-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-thia-2-azaspiro[4.5]decan-3-one
PubChem CID66106299
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name8-thia-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCSCC2)CN1
InChIInChI=1S/C8H13NOS/c10-7-5-8(6-9-7)1-3-11-4-2-8/h1-6H2,(H,9,10)
InChIKeyKPLMOZBLOGGIRM-UHFFFAOYSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-thia-2-azaspiro[4.5]decan-3-one 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-thia-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-thia-2-azaspiro[4.5]decan-3-one (CID 66106299) is 8-thia-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-thia-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-thia-2-azaspiro[4.5]decan-3-one is O=C1CC2(CCSCC2)CN1.
What is the InChIKey of 8-thia-2-azaspiro[4.5]decan-3-one?
The InChIKey is KPLMOZBLOGGIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c10-7-5-8(6-9-7)1-3-11-4-2-8/h1-6H2,(H,9,10).
What are the key properties of 8-thia-2-azaspiro[4.5]decan-3-one?
8-thia-2-azaspiro[4.5]decan-3-one has a molecular weight of 171.26 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thia-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66106299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).