1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide

C12H15F3N2O2S — CID 106217431

IUPAC1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)11(4-5-11)17-20(18,19)8-10-3-1-2-9(6-10)7-16/h1-3,6,17H,4-5,7-8,16H2
InChIKeyLAZJIKWGTBDWIG-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.66
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide (PubChem CID 106217431) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
PubChem CID106217431
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)11(4-5-11)17-20(18,19)8-10-3-1-2-9(6-10)7-16/h1-3,6,17H,4-5,7-8,16H2
InChIKeyLAZJIKWGTBDWIG-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(phenylmethyl)-
CID 109962
4-(Aminomethyl)benzenemethanesulfonamide
CID 9167228
1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(phenylmethyl)-
CID 170860
1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(phenylmethyl)-
CID 109963
1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(phenylmethyl)-
CID 109964
1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(phenylmethyl)-
CID 109965
N-benzyl-1,1,1-trifluoromethanesulphonamide
CID 118985
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
CID 56836595
N-benzylcyclopropanesulfonamide
CID 45497292
N-(alpha-Methylbenzyl)trifluoromethanesulfonamide
CID 66604504
N-(1-phenylethyl)ethanesulfonamide
CID 2932389
2-amino-N-benzylethane-1-sulfonamide hydrochloride
CID 21435852

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide (CID 106217431) is 1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide is NCc1cccc(CS(=O)(=O)NC2(C(F)(F)F)CC2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide?
The InChIKey is LAZJIKWGTBDWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-12(14,15)11(4-5-11)17-20(18,19)8-10-3-1-2-9(6-10)7-16/h1-3,6,17H,4-5,7-8,16H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide has a molecular weight of 308.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide is sourced from PubChem (CID 106217431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).