(3S,5R)-5-(trifluoromethyl)thiolan-3-amine

C5H8F3NS — CID 96631326

IUPAC(3S,5R)-5-(trifluoromethyl)thiolan-3-amine
SMILESN[C@@H]1CS[C@@H](C(F)(F)F)C1
InChIInChI=1S/C5H8F3NS/c6-5(7,8)4-1-3(9)2-10-4/h3-4H,1-2,9H2/t3-,4+/m0/s1
InChIKeyFMBZHJGKEYGRSP-IUYQGCFVSA-N
MW171.19 g/mol
LogP1.38
Rot. Bonds

About (3S,5R)-5-(trifluoromethyl)thiolan-3-amine

(3S,5R)-5-(trifluoromethyl)thiolan-3-amine (PubChem CID 96631326) has the molecular formula C5H8F3NS and a molecular weight of 171.19 g/mol. Its IUPAC name is (3S,5R)-5-(trifluoromethyl)thiolan-3-amine.

Molecular Properties

Compound Name(3S,5R)-5-(trifluoromethyl)thiolan-3-amine
PubChem CID96631326
Molecular FormulaC5H8F3NS
Molecular Weight171.19 g/mol
Exact Mass171.03
IUPAC Name(3S,5R)-5-(trifluoromethyl)thiolan-3-amine
SMILESN[C@@H]1CS[C@@H](C(F)(F)F)C1
InChIInChI=1S/C5H8F3NS/c6-5(7,8)4-1-3(9)2-10-4/h3-4H,1-2,9H2/t3-,4+/m0/s1
InChIKeyFMBZHJGKEYGRSP-IUYQGCFVSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,5R)-5-(trifluoromethyl)thiolan-3-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 (3S,5R)-5-(trifluoromethyl)thiolan-3-amine?
The IUPAC name of (3S,5R)-5-(trifluoromethyl)thiolan-3-amine (CID 96631326) is (3S,5R)-5-(trifluoromethyl)thiolan-3-amine.
What is the SMILES notation for (3S,5R)-5-(trifluoromethyl)thiolan-3-amine?
The canonical SMILES for (3S,5R)-5-(trifluoromethyl)thiolan-3-amine is N[C@@H]1CS[C@@H](C(F)(F)F)C1.
What is the InChIKey of (3S,5R)-5-(trifluoromethyl)thiolan-3-amine?
The InChIKey is FMBZHJGKEYGRSP-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H8F3NS/c6-5(7,8)4-1-3(9)2-10-4/h3-4H,1-2,9H2/t3-,4+/m0/s1.
What are the key properties of (3S,5R)-5-(trifluoromethyl)thiolan-3-amine?
(3S,5R)-5-(trifluoromethyl)thiolan-3-amine has a molecular weight of 171.19 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(trifluoromethyl)thiolan-3-amine is sourced from PubChem (CID 96631326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).