2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide

C13H15N3O4S — CID 166810201

IUPAC2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide
SMILESCN(C)CC(=O)Nc1cccc2c1C(=O)N(S(C)=O)C2=O
InChIInChI=1S/C13H15N3O4S/c1-15(2)7-10(17)14-9-6-4-5-8-11(9)13(19)16(12(8)18)21(3)20/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyWXZDEUVEVSLESH-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.08
Rot. Bonds4

About 2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide

2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide (PubChem CID 166810201) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide
PubChem CID166810201
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide
SMILESCN(C)CC(=O)Nc1cccc2c1C(=O)N(S(C)=O)C2=O
InChIInChI=1S/C13H15N3O4S/c1-15(2)7-10(17)14-9-6-4-5-8-11(9)13(19)16(12(8)18)21(3)20/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyWXZDEUVEVSLESH-UHFFFAOYSA-N
XLogP0.08
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide (CID 166810201) is 2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide is CN(C)CC(=O)Nc1cccc2c1C(=O)N(S(C)=O)C2=O.
What is the InChIKey of 2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide?
The InChIKey is WXZDEUVEVSLESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-15(2)7-10(17)14-9-6-4-5-8-11(9)13(19)16(12(8)18)21(3)20/h4-6H,7H2,1-3H3,(H,14,17).
What are the key properties of 2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide?
2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide has a molecular weight of 309.35 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2-methylsulfinyl-1,3-dioxoisoindol-4-yl)acetamide is sourced from PubChem (CID 166810201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).