N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide

C11H15F3N2O2S — CID 138970367

IUPACN-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)[C@@H](N)c1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-7(2)10(15)8-5-3-4-6-9(8)16-19(17,18)11(12,13)14/h3-7,10,16H,15H2,1-2H3/t10-/m1/s1
InChIKeyRKIKZVIYHGYZKU-SNVBAGLBSA-N
MW296.31 g/mol
LogP2.60
Rot. Bonds4

About N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 138970367) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID138970367
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)[C@@H](N)c1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-7(2)10(15)8-5-3-4-6-9(8)16-19(17,18)11(12,13)14/h3-7,10,16H,15H2,1-2H3/t10-/m1/s1
InChIKeyRKIKZVIYHGYZKU-SNVBAGLBSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 138970367) is N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide is CC(C)[C@@H](N)c1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is RKIKZVIYHGYZKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-7(2)10(15)8-5-3-4-6-9(8)16-19(17,18)11(12,13)14/h3-7,10,16H,15H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-amino-2-methylpropyl]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 138970367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).