2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide

C10H16N2O3S — CID 61326998

IUPAC2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide
SMILESCCC(CC)(C(N)=S)N1C(=O)COCC1=O
InChIInChI=1S/C10H16N2O3S/c1-3-10(4-2,9(11)16)12-7(13)5-15-6-8(12)14/h3-6H2,1-2H3,(H2,11,16)
InChIKeyPZXIANAKSYVFLD-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.22
Rot. Bonds4

About 2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide

2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide (PubChem CID 61326998) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide.

Molecular Properties

Compound Name2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide
PubChem CID61326998
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide
SMILESCCC(CC)(C(N)=S)N1C(=O)COCC1=O
InChIInChI=1S/C10H16N2O3S/c1-3-10(4-2,9(11)16)12-7(13)5-15-6-8(12)14/h3-6H2,1-2H3,(H2,11,16)
InChIKeyPZXIANAKSYVFLD-UHFFFAOYSA-N
XLogP0.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanethioamide
CID 114392312
4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide
CID 65248821
2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide
CID 61123321
5-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpentanethioamide
CID 65260157
2-(2,5-dioxopyrrolidin-1-yl)-2-methylbutanethioamide
CID 61123128
2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid
CID 61327767
2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid
CID 78969508
4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione
CID 106253810
4-ethylmorpholine-3,5-dione
CID 15506865
4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione
CID 58799780
2-(3,5-dioxomorpholin-4-yl)-2,4-dimethylpentanoic acid
CID 114993888
3-(3,5-dioxomorpholin-4-yl)-2-phenylpropanethioamide
CID 64538157

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide?
The IUPAC name of 2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide (CID 61326998) is 2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide.
What is the SMILES notation for 2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide?
The canonical SMILES for 2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide is CCC(CC)(C(N)=S)N1C(=O)COCC1=O.
What is the InChIKey of 2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide?
The InChIKey is PZXIANAKSYVFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-10(4-2,9(11)16)12-7(13)5-15-6-8(12)14/h3-6H2,1-2H3,(H2,11,16).
What are the key properties of 2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide?
2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide has a molecular weight of 244.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxomorpholin-4-yl)-2-ethylbutanethioamide is sourced from PubChem (CID 61326998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).