2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide

C10H17N3O2S — CID 65248880

IUPAC2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide
SMILESCN1CC(=O)N(CCC(C)(C)C(N)=S)C1=O
InChIInChI=1S/C10H17N3O2S/c1-10(2,8(11)16)4-5-13-7(14)6-12(3)9(13)15/h4-6H2,1-3H3,(H2,11,16)
InChIKeyYAUBAJIHNGLWLR-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.58
Rot. Bonds4

About 2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide

2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide (PubChem CID 65248880) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide
PubChem CID65248880
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide
SMILESCN1CC(=O)N(CCC(C)(C)C(N)=S)C1=O
InChIInChI=1S/C10H17N3O2S/c1-10(2,8(11)16)4-5-13-7(14)6-12(3)9(13)15/h4-6H2,1-3H3,(H2,11,16)
InChIKeyYAUBAJIHNGLWLR-UHFFFAOYSA-N
XLogP0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
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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Related Compounds

3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione
CID 83819144
4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide
CID 65248821
2,2-dimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)butanethioamide
CID 79506060
4-(3,5-dioxopiperazin-1-yl)-2,2-dimethylbutanethioamide
CID 66084496
2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 65249399
2,2-dimethyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanethioamide
CID 114513551
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide
CID 65248645
5-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpentanethioamide
CID 65260157
3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione
CID 83817541
2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide
CID 65248712
3-(2-fluoroethyl)-1-methylimidazolidine-2,4-dione
CID 127013693
3-[2-(2,2-dimethylpropoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 21027116

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide?
The IUPAC name of 2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide (CID 65248880) is 2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide.
What is the SMILES notation for 2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide?
The canonical SMILES for 2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide is CN1CC(=O)N(CCC(C)(C)C(N)=S)C1=O.
What is the InChIKey of 2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide?
The InChIKey is YAUBAJIHNGLWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2,8(11)16)4-5-13-7(14)6-12(3)9(13)15/h4-6H2,1-3H3,(H2,11,16).
What are the key properties of 2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide?
2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide has a molecular weight of 243.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide is sourced from PubChem (CID 65248880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).