2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide

C15H24N2O2S — CID 61122518

IUPAC2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide
SMILESCCC(C)(C(N)=S)N1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C15H24N2O2S/c1-3-14(2,13(16)20)17-11(18)9-15(10-12(17)19)7-5-4-6-8-15/h3-10H2,1-2H3,(H2,16,20)
InChIKeyMYEIUIASBNODHB-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.54
Rot. Bonds3

About 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide

2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide (PubChem CID 61122518) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide
PubChem CID61122518
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide
SMILESCCC(C)(C(N)=S)N1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C15H24N2O2S/c1-3-14(2,13(16)20)17-11(18)9-15(10-12(17)19)7-5-4-6-8-15/h3-10H2,1-2H3,(H2,16,20)
InChIKeyMYEIUIASBNODHB-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

1-(4-Methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carbothioamide
CID 55156740
2-(4,4-Dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanethioamide
CID 55156913
3-(1-Amino-2-methylpropan-2-yl)-3-azaspiro[5.5]undecane-2,4-dione
CID 55163532
2-(2,4-Dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpropanethioamide
CID 61119847
2-(7,9-Dioxo-8-azaspiro[4.5]decan-8-yl)-2-methylpropanethioamide
CID 61120050
2-(1,3-Dioxo-2-azaspiro[4.5]decan-2-yl)-2-methylpropanethioamide
CID 61120640
1-(7,9-Dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentane-1-carbothioamide
CID 61121920
1-(2,6-Dioxopiperidin-1-yl)cyclohexane-1-carbothioamide
CID 61121923
2-(7,9-Dioxo-8-azaspiro[4.5]decan-8-yl)-2-ethylbutanethioamide
CID 61122128
2-(2,4-Dioxo-3-azaspiro[5.5]undecan-3-yl)pentanethioamide
CID 61122308
2-(2,4-Dioxo-3-azaspiro[5.5]undecan-3-yl)butanethioamide
CID 61122702
1-(2,6-Dioxopiperidin-1-yl)-4-ethylcyclohexane-1-carbothioamide
CID 61122914

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide?
The IUPAC name of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide (CID 61122518) is 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide.
What is the SMILES notation for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide?
The canonical SMILES for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide is CCC(C)(C(N)=S)N1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide?
The InChIKey is MYEIUIASBNODHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-14(2,13(16)20)17-11(18)9-15(10-12(17)19)7-5-4-6-8-15/h3-10H2,1-2H3,(H2,16,20).
What are the key properties of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide?
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide has a molecular weight of 296.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylbutanethioamide is sourced from PubChem (CID 61122518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).