4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide

C11H19N3O2S — CID 65248645

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide
SMILESCC(C)(CCN1C(=O)NC(C)(C)C1=O)C(N)=S
InChIInChI=1S/C11H19N3O2S/c1-10(2,7(12)17)5-6-14-8(15)11(3,4)13-9(14)16/h5-6H2,1-4H3,(H2,12,17)(H,13,16)
InChIKeyASAVHARRWLYWIS-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.02
Rot. Bonds4

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide (PubChem CID 65248645) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide
PubChem CID65248645
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide
SMILESCC(C)(CCN1C(=O)NC(C)(C)C1=O)C(N)=S
InChIInChI=1S/C11H19N3O2S/c1-10(2,7(12)17)5-6-14-8(15)11(3,4)13-9(14)16/h5-6H2,1-4H3,(H2,12,17)(H,13,16)
InChIKeyASAVHARRWLYWIS-UHFFFAOYSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide (CID 65248645) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide is CC(C)(CCN1C(=O)NC(C)(C)C1=O)C(N)=S.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide?
The InChIKey is ASAVHARRWLYWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-10(2,7(12)17)5-6-14-8(15)11(3,4)13-9(14)16/h5-6H2,1-4H3,(H2,12,17)(H,13,16).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide has a molecular weight of 257.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide is sourced from PubChem (CID 65248645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).