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

C15H24N2O2S — CID 61122128

IUPAC2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide
SMILESCCC(CC)(C(N)=S)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C15H24N2O2S/c1-3-15(4-2,13(16)20)17-11(18)9-14(10-12(17)19)7-5-6-8-14/h3-10H2,1-2H3,(H2,16,20)
InChIKeyNVQBNXUHOONZEP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.54
Rot. Bonds4

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

2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide (PubChem CID 61122128) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide.

Molecular Properties

Compound Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide
PubChem CID61122128
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide
SMILESCCC(CC)(C(N)=S)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C15H24N2O2S/c1-3-15(4-2,13(16)20)17-11(18)9-14(10-12(17)19)7-5-6-8-14/h3-10H2,1-2H3,(H2,16,20)
InChIKeyNVQBNXUHOONZEP-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.54
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-ethylbutanethioamide?
The IUPAC name of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide (CID 61122128) is 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide.
What is the SMILES notation for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide?
The canonical SMILES for 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide is CCC(CC)(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-ethylbutanethioamide?
The InChIKey is NVQBNXUHOONZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-15(4-2,13(16)20)17-11(18)9-14(10-12(17)19)7-5-6-8-14/h3-10H2,1-2H3,(H2,16,20).
What are the key properties of 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide?
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide has a molecular weight of 296.44 g/mol, XLogP of 2.54, 4 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-ethylbutanethioamide is sourced from PubChem (CID 61122128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).