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

C14H22N2O2S — CID 61123127

IUPAC2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylbutanethioamide
SMILESCCC(C)(C(N)=S)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H22N2O2S/c1-3-13(2,12(15)19)16-10(17)8-14(9-11(16)18)6-4-5-7-14/h3-9H2,1-2H3,(H2,15,19)
InChIKeyWXQNWDBGJFUHLA-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.15
Rot. Bonds3

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

2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylbutanethioamide (PubChem CID 61123127) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylbutanethioamide.

Molecular Properties

Compound Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylbutanethioamide
PubChem CID61123127
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylbutanethioamide
SMILESCCC(C)(C(N)=S)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H22N2O2S/c1-3-13(2,12(15)19)16-10(17)8-14(9-11(16)18)6-4-5-7-14/h3-9H2,1-2H3,(H2,15,19)
InChIKeyWXQNWDBGJFUHLA-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.15
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-methylbutanethioamide?
The IUPAC name of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylbutanethioamide (CID 61123127) is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylbutanethioamide.
What is the SMILES notation for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylbutanethioamide?
The canonical SMILES for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylbutanethioamide is CCC(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-methylbutanethioamide?
The InChIKey is WXQNWDBGJFUHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-13(2,12(15)19)16-10(17)8-14(9-11(16)18)6-4-5-7-14/h3-9H2,1-2H3,(H2,15,19).
What are the key properties of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylbutanethioamide?
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylbutanethioamide has a molecular weight of 282.41 g/mol, XLogP of 2.15, 3 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-methylbutanethioamide is sourced from PubChem (CID 61123127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).