8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione

C7H10N2O4S — CID 50990314

IUPAC8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCS(=O)(=O)CC2)N1
InChIInChI=1S/C7H10N2O4S/c10-5-7(9-6(11)8-5)1-3-14(12,13)4-2-7/h1-4H2,(H2,8,9,10,11)
InChIKeyJVWBXSSEPJUHCK-UHFFFAOYSA-N
MW218.23 g/mol
LogP-1.23
Rot. Bonds

About 8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione

8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 50990314) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID50990314
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCS(=O)(=O)CC2)N1
InChIInChI=1S/C7H10N2O4S/c10-5-7(9-6(11)8-5)1-3-14(12,13)4-2-7/h1-4H2,(H2,8,9,10,11)
InChIKeyJVWBXSSEPJUHCK-UHFFFAOYSA-N
XLogP-1.23
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione (CID 50990314) is 8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCS(=O)(=O)CC2)N1.
What is the InChIKey of 8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is JVWBXSSEPJUHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c10-5-7(9-6(11)8-5)1-3-14(12,13)4-2-7/h1-4H2,(H2,8,9,10,11).
What are the key properties of 8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 218.23 g/mol, XLogP of -1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 50990314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).