(2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine

C6H12F3NS — CID 166696989

IUPAC(2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine
SMILESCSC(C)N[C@@H](C)C(F)(F)F
InChIInChI=1S/C6H12F3NS/c1-4(6(7,8)9)10-5(2)11-3/h4-5,10H,1-3H3/t4-,5?/m0/s1
InChIKeyIYMJWNUUISQFCC-ROLXFIACSA-N
MW187.23 g/mol
LogP2.24
Rot. Bonds3

About (2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine

(2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine (PubChem CID 166696989) has the molecular formula C6H12F3NS and a molecular weight of 187.23 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine
PubChem CID166696989
Molecular FormulaC6H12F3NS
Molecular Weight187.23 g/mol
Exact Mass187.06
IUPAC Name(2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine
SMILESCSC(C)N[C@@H](C)C(F)(F)F
InChIInChI=1S/C6H12F3NS/c1-4(6(7,8)9)10-5(2)11-3/h4-5,10H,1-3H3/t4-,5?/m0/s1
InChIKeyIYMJWNUUISQFCC-ROLXFIACSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine?
The IUPAC name of (2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine (CID 166696989) is (2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine.
What is the SMILES notation for (2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine?
The canonical SMILES for (2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine is CSC(C)N[C@@H](C)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine?
The InChIKey is IYMJWNUUISQFCC-ROLXFIACSA-N. The full InChI is InChI=1S/C6H12F3NS/c1-4(6(7,8)9)10-5(2)11-3/h4-5,10H,1-3H3/t4-,5?/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine?
(2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine has a molecular weight of 187.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 166696989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).