1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

C7H12N2O3S — CID 86820576

IUPAC1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CS(=O)(=O)C2(CCNCC2)N1
InChIInChI=1S/C7H12N2O3S/c10-6-5-13(11,12)7(9-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChIKeyJEFWCYWPAUHANK-UHFFFAOYSA-N
MW204.25 g/mol
LogP-1.39
Rot. Bonds

About 1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 86820576) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID86820576
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CS(=O)(=O)C2(CCNCC2)N1
InChIInChI=1S/C7H12N2O3S/c10-6-5-13(11,12)7(9-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChIKeyJEFWCYWPAUHANK-UHFFFAOYSA-N
XLogP-1.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-dioxo-1λ6-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 1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 86820576) is 1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is O=C1CS(=O)(=O)C2(CCNCC2)N1.
What is the InChIKey of 1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is JEFWCYWPAUHANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c10-6-5-13(11,12)7(9-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10).
What are the key properties of 1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 204.25 g/mol, XLogP of -1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 86820576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).