4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C11H20N2OS — CID 88943876

IUPAC4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CCC2(CC1)SCC(=O)N2CC
InChIInChI=1S/C11H20N2OS/c1-3-12-7-5-11(6-8-12)13(4-2)10(14)9-15-11/h3-9H2,1-2H3
InChIKeyNWXXRNSFSIWARO-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.39
Rot. Bonds2

About 4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 88943876) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID88943876
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CCC2(CC1)SCC(=O)N2CC
InChIInChI=1S/C11H20N2OS/c1-3-12-7-5-11(6-8-12)13(4-2)10(14)9-15-11/h3-9H2,1-2H3
InChIKeyNWXXRNSFSIWARO-UHFFFAOYSA-N
XLogP1.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,8-diethyl-1-thia-4,8-diazaspiro[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 4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 88943876) is 4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CCN1CCC2(CC1)SCC(=O)N2CC.
What is the InChIKey of 4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NWXXRNSFSIWARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-12-7-5-11(6-8-12)13(4-2)10(14)9-15-11/h3-9H2,1-2H3.
What are the key properties of 4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 228.36 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 88943876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).