2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide

C12H18N2O3S — CID 63589774

IUPAC2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)7-6-14-12(15)8-10-2-4-11(9-13)5-3-10/h2-5H,6-9,13H2,1H3,(H,14,15)
InChIKeyBYKGMHLIESWKNR-UHFFFAOYSA-N
MW270.35 g/mol
LogP-0.15
Rot. Bonds6

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

2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide (PubChem CID 63589774) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide
PubChem CID63589774
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)7-6-14-12(15)8-10-2-4-11(9-13)5-3-10/h2-5H,6-9,13H2,1H3,(H,14,15)
InChIKeyBYKGMHLIESWKNR-UHFFFAOYSA-N
XLogP-0.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333131
2-[4-(aminomethyl)phenyl]-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106333121
2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide
CID 55209905
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 63588886
2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333044
2-[[2-[4-(aminomethyl)phenyl]acetyl]amino]ethyl carbamate
CID 83202715
2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
CID 63591393
2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
CID 62500011
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide
CID 54931961

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide (CID 63589774) is 2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide is CS(=O)(=O)CCNC(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is BYKGMHLIESWKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(16,17)7-6-14-12(15)8-10-2-4-11(9-13)5-3-10/h2-5H,6-9,13H2,1H3,(H,14,15).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide?
2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 270.35 g/mol, XLogP of -0.15, 6 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-methylsulfonylethyl)acetamide is sourced from PubChem (CID 63589774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).