(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine

C10H12F3NS — CID 171226809

IUPAC(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NS/c1-2-9(14)7-3-5-8(6-4-7)15-10(11,12)13/h3-6,9H,2,14H2,1H3/t9-/m0/s1
InChIKeyUMLJNOFTMYAUQV-VIFPVBQESA-N
MW235.27 g/mol
LogP3.71
Rot. Bonds3

About (1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine

(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine (PubChem CID 171226809) has the molecular formula C10H12F3NS and a molecular weight of 235.27 g/mol. Its IUPAC name is (1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine
PubChem CID171226809
Molecular FormulaC10H12F3NS
Molecular Weight235.27 g/mol
Exact Mass235.06
IUPAC Name(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NS/c1-2-9(14)7-3-5-8(6-4-7)15-10(11,12)13/h3-6,9H,2,14H2,1H3/t9-/m0/s1
InChIKeyUMLJNOFTMYAUQV-VIFPVBQESA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine 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

(1R)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentan-1-amine
CID 171207274
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]hexan-1-amine
CID 171226819
(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171226802
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]but-3-en-1-amine
CID 171226815
(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]hexan-1-amine;hydrochloride
CID 171207247
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butan-1-amine
CID 171207253
(1S)-3-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]but-3-en-1-amine
CID 171226844
(3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
CID 171207279
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171226808
N-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
CID 55030218
2-[(1S)-1-aminopropyl]-4-(trifluoromethylsulfanyl)phenol
CID 171255563
(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 95422491

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine (CID 171226809) is (1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine is CC[C@H](N)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of (1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
The InChIKey is UMLJNOFTMYAUQV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12F3NS/c1-2-9(14)7-3-5-8(6-4-7)15-10(11,12)13/h3-6,9H,2,14H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine has a molecular weight of 235.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine is sourced from PubChem (CID 171226809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).