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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Related Compounds

3-(3,4-dimethoxyphenyl)-3-[4-[[2-(dimethylamino)acetyl]amino]-1,3-dioxoisoindol-2-yl]propane-1-sulfinate
CID 174686421
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[4-[[2-(dimethylamino)acetyl]amino]-1,3-dioxoisoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylpropanamide;hydrochloride
CID 142655664
2-(dimethylamino)-N-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;hydrochloride
CID 23139788
2-(dimethylamino)-N-[5-[[2-(dimethylamino)acetyl]amino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]acetamide
CID 70800134
2-(dimethylamino)-N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;hydron;chloride
CID 66718539
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-2-phenylacetamide
CID 131931780
N-[2-[(1S)-1-fluoro-2-[(S)-methylsulfinyl]ethyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 170115852
methyl 2-[[2-[[8-[[2-[(2-methoxy-2-oxoethyl)-methylamino]acetyl]amino]-9,10-dioxoanthracen-1-yl]amino]-2-oxoethyl]-methylamino]acetate
CID 46244694
2-(dimethylamino)-N-[2-(furan-2-yl)phenyl]acetamide
CID 168524936
2-chloro-N-[8-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]acetamide;2-[ethyl(methyl)amino]-N-[8-[[2-[ethyl(methyl)amino]acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 159623112
methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 158707870

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).