1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one

C6H10N2O3S — CID 55280250

IUPAC1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1NCCC12CCNS2(=O)=O
InChIInChI=1S/C6H10N2O3S/c9-5-6(1-3-7-5)2-4-8-12(6,10)11/h8H,1-4H2,(H,7,9)
InChIKeyXRMBTSQHDQTKKX-UHFFFAOYSA-N
MW190.22 g/mol
LogP-1.43
Rot. Bonds

About 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one

1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one (PubChem CID 55280250) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one
PubChem CID55280250
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1NCCC12CCNS2(=O)=O
InChIInChI=1S/C6H10N2O3S/c9-5-6(1-3-7-5)2-4-8-12(6,10)11/h8H,1-4H2,(H,7,9)
InChIKeyXRMBTSQHDQTKKX-UHFFFAOYSA-N
XLogP-1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-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 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one (CID 55280250) is 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one is O=C1NCCC12CCNS2(=O)=O.
What is the InChIKey of 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is XRMBTSQHDQTKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c9-5-6(1-3-7-5)2-4-8-12(6,10)11/h8H,1-4H2,(H,7,9).
What are the key properties of 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one?
1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 190.22 g/mol, XLogP of -1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 55280250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).