(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride

C10H12ClF3N2OS — CID 119280396

IUPAC(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1ccccc1SC(F)(F)F.Cl
InChIInChI=1S/C10H11F3N2OS.ClH/c1-6(14)9(16)15-7-4-2-3-5-8(7)17-10(11,12)13;/h2-6H,14H2,1H3,(H,15,16);1H/t6-;/m1./s1
InChIKeyLNLDKULXCSXFAH-FYZOBXCZSA-N
MW300.73 g/mol
LogP3.01
Rot. Bonds3

About (2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride

(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride (PubChem CID 119280396) has the molecular formula C10H12ClF3N2OS and a molecular weight of 300.73 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride
PubChem CID119280396
Molecular FormulaC10H12ClF3N2OS
Molecular Weight300.73 g/mol
Exact Mass300.03
IUPAC Name(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1ccccc1SC(F)(F)F.Cl
InChIInChI=1S/C10H11F3N2OS.ClH/c1-6(14)9(16)15-7-4-2-3-5-8(7)17-10(11,12)13;/h2-6H,14H2,1H3,(H,15,16);1H/t6-;/m1./s1
InChIKeyLNLDKULXCSXFAH-FYZOBXCZSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.73
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride 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

2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 61265978
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
(2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride
CID 119343988
2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 62836388
3-chloro-2,2-dimethyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63679036
(2S)-2-amino-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61179824
2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 78878752
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride (CID 119280396) is (2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride is C[C@@H](N)C(=O)Nc1ccccc1SC(F)(F)F.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride?
The InChIKey is LNLDKULXCSXFAH-FYZOBXCZSA-N. The full InChI is InChI=1S/C10H11F3N2OS.ClH/c1-6(14)9(16)15-7-4-2-3-5-8(7)17-10(11,12)13;/h2-6H,14H2,1H3,(H,15,16);1H/t6-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride has a molecular weight of 300.73 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119280396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).