(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride

C7H14ClF3N2OS — CID 119290996

IUPAC(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C7H13F3N2OS.ClH/c1-14-3-2-5(11)6(13)12-4-7(8,9)10;/h5H,2-4,11H2,1H3,(H,12,13);1H/t5-;/m0./s1
InChIKeyNZNAPQIILCUQLD-JEDNCBNOSA-N
MW266.72 g/mol
LogP1.17
Rot. Bonds5

About (2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride

(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride (PubChem CID 119290996) has the molecular formula C7H14ClF3N2OS and a molecular weight of 266.72 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
PubChem CID119290996
Molecular FormulaC7H14ClF3N2OS
Molecular Weight266.72 g/mol
Exact Mass266.05
IUPAC Name(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C7H13F3N2OS.ClH/c1-14-3-2-5(11)6(13)12-4-7(8,9)10;/h5H,2-4,11H2,1H3,(H,12,13);1H/t5-;/m0./s1
InChIKeyNZNAPQIILCUQLD-JEDNCBNOSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;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

(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103461634
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide
CID 79549856
2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 122359947
(2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 106148043
ethyl 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 5095988
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003561
(2S)-2-amino-N-methyl-4-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 61165285
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119290851
(2S)-2-amino-N-[2-methyl-2-(4-methylphenyl)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119318670

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride (CID 119290996) is (2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride is CSCC[C@H](N)C(=O)NCC(F)(F)F.Cl.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The InChIKey is NZNAPQIILCUQLD-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H13F3N2OS.ClH/c1-14-3-2-5(11)6(13)12-4-7(8,9)10;/h5H,2-4,11H2,1H3,(H,12,13);1H/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride has a molecular weight of 266.72 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride is sourced from PubChem (CID 119290996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).