7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one

C12H14N2O3S — CID 10754228

IUPAC7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one
SMILESNN1C(=O)C2(CC2)S(=O)(=O)CC1c1ccccc1
InChIInChI=1S/C12H14N2O3S/c13-14-10(9-4-2-1-3-5-9)8-18(16,17)12(6-7-12)11(14)15/h1-5,10H,6-8,13H2
InChIKeyMGXLSEQGLMBZMO-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.39
Rot. Bonds1

About 7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one

7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one (PubChem CID 10754228) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one
PubChem CID10754228
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one
SMILESNN1C(=O)C2(CC2)S(=O)(=O)CC1c1ccccc1
InChIInChI=1S/C12H14N2O3S/c13-14-10(9-4-2-1-3-5-9)8-18(16,17)12(6-7-12)11(14)15/h1-5,10H,6-8,13H2
InChIKeyMGXLSEQGLMBZMO-UHFFFAOYSA-N
XLogP0.39
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one?
The IUPAC name of 7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one (CID 10754228) is 7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one.
What is the SMILES notation for 7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one?
The canonical SMILES for 7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one is NN1C(=O)C2(CC2)S(=O)(=O)CC1c1ccccc1.
What is the InChIKey of 7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one?
The InChIKey is MGXLSEQGLMBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-14-10(9-4-2-1-3-5-9)8-18(16,17)12(6-7-12)11(14)15/h1-5,10H,6-8,13H2.
What are the key properties of 7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one?
7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one has a molecular weight of 266.32 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4,4-dioxo-6-phenyl-4lambda6-thia-7-azaspiro[2.5]octan-8-one is sourced from PubChem (CID 10754228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).