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

C10H16N2O3S — CID 65248821

IUPAC4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide
SMILESCC(C)(CCN1C(=O)COCC1=O)C(N)=S
InChIInChI=1S/C10H16N2O3S/c1-10(2,9(11)16)3-4-12-7(13)5-15-6-8(12)14/h3-6H2,1-2H3,(H2,11,16)
InChIKeyVUWNJPSMQOEKSC-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.07
Rot. Bonds4

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

4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide (PubChem CID 65248821) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide.

Molecular Properties

Compound Name4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide
PubChem CID65248821
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide
SMILESCC(C)(CCN1C(=O)COCC1=O)C(N)=S
InChIInChI=1S/C10H16N2O3S/c1-10(2,9(11)16)3-4-12-7(13)5-15-6-8(12)14/h3-6H2,1-2H3,(H2,11,16)
InChIKeyVUWNJPSMQOEKSC-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
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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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide?
The IUPAC name of 4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide (CID 65248821) is 4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide.
What is the SMILES notation for 4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide?
The canonical SMILES for 4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide is CC(C)(CCN1C(=O)COCC1=O)C(N)=S.
What is the InChIKey of 4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide?
The InChIKey is VUWNJPSMQOEKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-10(2,9(11)16)3-4-12-7(13)5-15-6-8(12)14/h3-6H2,1-2H3,(H2,11,16).
What are the key properties of 4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide?
4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide has a molecular weight of 244.32 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide is sourced from PubChem (CID 65248821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).