N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide

C14H22N2O2S — CID 81328761

IUPACN-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide
SMILESCC(C)CS(=O)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O2S/c1-10(2)9-19(18)11(3)14(17)16-13-7-5-4-6-12(13)8-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyXEDAGRCTAYPUTH-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide

N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide (PubChem CID 81328761) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide
PubChem CID81328761
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide
SMILESCC(C)CS(=O)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O2S/c1-10(2)9-19(18)11(3)14(17)16-13-7-5-4-6-12(13)8-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyXEDAGRCTAYPUTH-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
CID 81328530
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide
CID 107767444
N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107767023
N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide
CID 43211808
N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43127345
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786
N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide
CID 64698633
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
CID 43570705
N-[2-(aminomethyl)phenyl]-4-(2-methylbutylsulfinyl)butanamide
CID 107767323
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide (CID 81328761) is N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide is CC(C)CS(=O)C(C)C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide?
The InChIKey is XEDAGRCTAYPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)9-19(18)11(3)14(17)16-13-7-5-4-6-12(13)8-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide?
N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide is sourced from PubChem (CID 81328761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).