2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide

C13H20N2O2S — CID 61120050

IUPAC2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide
SMILESCC(C)(C(N)=S)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H20N2O2S/c1-12(2,11(14)18)15-9(16)7-13(8-10(15)17)5-3-4-6-13/h3-8H2,1-2H3,(H2,14,18)
InChIKeyDTUWRIBNRIUEHE-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.76
Rot. Bonds2

About 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide

2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide (PubChem CID 61120050) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide
PubChem CID61120050
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide
SMILESCC(C)(C(N)=S)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H20N2O2S/c1-12(2,11(14)18)15-9(16)7-13(8-10(15)17)5-3-4-6-13/h3-8H2,1-2H3,(H2,14,18)
InChIKeyDTUWRIBNRIUEHE-UHFFFAOYSA-N
XLogP1.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide?
The IUPAC name of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide (CID 61120050) is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide.
What is the SMILES notation for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide?
The canonical SMILES for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide is CC(C)(C(N)=S)N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide?
The InChIKey is DTUWRIBNRIUEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-12(2,11(14)18)15-9(16)7-13(8-10(15)17)5-3-4-6-13/h3-8H2,1-2H3,(H2,14,18).
What are the key properties of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide?
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide has a molecular weight of 268.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide is sourced from PubChem (CID 61120050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).