2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide

C13H21N3O3S — CID 106333131

IUPAC2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C13H21N3O3S/c1-16(2)20(18,19)8-7-15-13(17)9-11-3-5-12(10-14)6-4-11/h3-6H,7-10,14H2,1-2H3,(H,15,17)
InChIKeyZYBVISINDOZBKR-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.30
Rot. Bonds7

About 2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide

2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide (PubChem CID 106333131) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide
PubChem CID106333131
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C13H21N3O3S/c1-16(2)20(18,19)8-7-15-13(17)9-11-3-5-12(10-14)6-4-11/h3-6H,7-10,14H2,1-2H3,(H,15,17)
InChIKeyZYBVISINDOZBKR-UHFFFAOYSA-N
XLogP-0.30
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333044
2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide
CID 63589774
2-[4-(aminomethyl)phenyl]-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106333121
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 63588886
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide
CID 106339701
2-(4-chlorophenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]acetamide
CID 110287682
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
2-[[2-[4-(aminomethyl)phenyl]acetyl]amino]ethyl carbamate
CID 83202715
2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
CID 63591393
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106337531
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106337406

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide (CID 106333131) is 2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide is CN(C)S(=O)(=O)CCNC(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The InChIKey is ZYBVISINDOZBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-16(2)20(18,19)8-7-15-13(17)9-11-3-5-12(10-14)6-4-11/h3-6H,7-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide is sourced from PubChem (CID 106333131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).