5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine

C10H19F3N2S — CID 103595836

IUPAC5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine
SMILESCN1CCSCC1C(N)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2S/c1-15-5-6-16-7-9(15)8(14)3-2-4-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyLYROQDBYJQJROX-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.09
Rot. Bonds4

About 5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine

5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine (PubChem CID 103595836) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine
PubChem CID103595836
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC Name5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine
SMILESCN1CCSCC1C(N)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2S/c1-15-5-6-16-7-9(15)8(14)3-2-4-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyLYROQDBYJQJROX-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-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

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine (CID 103595836) is 5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine is CN1CCSCC1C(N)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine?
The InChIKey is LYROQDBYJQJROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-15-5-6-16-7-9(15)8(14)3-2-4-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine?
5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine has a molecular weight of 256.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine is sourced from PubChem (CID 103595836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).