8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

C11H19NO2S — CID 2988428

IUPAC8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESCCC1CCC2(CC1)NC(C(=O)O)CS2
InChIInChI=1S/C11H19NO2S/c1-2-8-3-5-11(6-4-8)12-9(7-15-11)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyZBZFJJPNXBZWPC-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.07
Rot. Bonds2

About 8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 2988428) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID2988428
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESCCC1CCC2(CC1)NC(C(=O)O)CS2
InChIInChI=1S/C11H19NO2S/c1-2-8-3-5-11(6-4-8)12-9(7-15-11)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyZBZFJJPNXBZWPC-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid 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-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid (CID 2988428) is 8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid is CCC1CCC2(CC1)NC(C(=O)O)CS2.
What is the InChIKey of 8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is ZBZFJJPNXBZWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-2-8-3-5-11(6-4-8)12-9(7-15-11)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid?
8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 229.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 2988428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).