N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide

C14H22N2O2S — CID 81328530

IUPACN-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
SMILESCCC(C)S(=O)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O2S/c1-4-10(2)19(18)11(3)14(17)16-13-8-6-5-7-12(13)9-15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyYQUXLBFPYBUQFO-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide

N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide (PubChem CID 81328530) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
PubChem CID81328530
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
SMILESCCC(C)S(=O)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O2S/c1-4-10(2)19(18)11(3)14(17)16-13-8-6-5-7-12(13)9-15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyYQUXLBFPYBUQFO-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide
CID 81328761
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]-2-propan-2-ylsulfonylpropanamide
CID 64697646
N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide
CID 43211808
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43127345
N-[2-(aminomethyl)phenyl]-4-(2-methylbutylsulfinyl)butanamide
CID 107767323
N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide
CID 43127359
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
CID 43571770
(2S)-2-methyl-N-[2-[[(S)-methylsulfinyl]methyl]phenyl]butanamide
CID 97306982
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
CID 43570704

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide (CID 81328530) is N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide is CCC(C)S(=O)C(C)C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide?
The InChIKey is YQUXLBFPYBUQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-10(2)19(18)11(3)14(17)16-13-8-6-5-7-12(13)9-15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide?
N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide has a molecular weight of 282.41 g/mol, XLogP of 2.02, 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-butan-2-ylsulfinylpropanamide is sourced from PubChem (CID 81328530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).