N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide

C12H15F3N2O3S — CID 104517140

IUPACN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(CN)cc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C12H15F3N2O3S/c1-7(21(2,19)20)11(18)17-10-4-3-8(6-16)5-9(10)12(13,14)15/h3-5,7H,6,16H2,1-2H3,(H,17,18)
InChIKeyVSMJNAZKHWACCL-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.54
Rot. Bonds4

About N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide

N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide (PubChem CID 104517140) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide
PubChem CID104517140
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(CN)cc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C12H15F3N2O3S/c1-7(21(2,19)20)11(18)17-10-4-3-8(6-16)5-9(10)12(13,14)15/h3-5,7H,6,16H2,1-2H3,(H,17,18)
InChIKeyVSMJNAZKHWACCL-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide 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

1-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 61317348
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide
CID 120604625
3-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153893
4-(aminomethyl)-1-(sulfamoylamino)-2-(trifluoromethyl)benzene
CID 114958581
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575
N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide
CID 105360475
N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide
CID 114824152
2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 107904014
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209
(2S)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 61178655
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide (CID 104517140) is N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide is CC(C(=O)Nc1ccc(CN)cc1C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide?
The InChIKey is VSMJNAZKHWACCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-7(21(2,19)20)11(18)17-10-4-3-8(6-16)5-9(10)12(13,14)15/h3-5,7H,6,16H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide?
N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide has a molecular weight of 324.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 104517140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).