1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine

C8H15F3N2S — CID 116616919

IUPAC1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
SMILESNC1CCCN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)14-5-4-13-3-1-2-7(12)6-13/h7H,1-6,12H2
InChIKeyKQFNWPUFYRNNSG-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.66
Rot. Bonds3

About 1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine

1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine (PubChem CID 116616919) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
PubChem CID116616919
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC Name1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
SMILESNC1CCCN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)14-5-4-13-3-1-2-7(12)6-13/h7H,1-6,12H2
InChIKeyKQFNWPUFYRNNSG-UHFFFAOYSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-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

Related Compounds

[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
CID 116616921
4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 116616937
ethyl (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-3-carboxylate
CID 104891378
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
1-(2-bromoethyl)piperidin-3-amine
CID 130905726
1-(3-cyclohexylpropyl)piperidin-3-amine
CID 102550649
1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784
(3R)-1-but-3-enylpiperidin-3-amine
CID 102977540
(3R)-1-(2-benzylsulfanylethyl)piperidin-3-amine;hydrochloride
CID 120845971
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 116616987
1-(2-methylsulfonylethyl)azepan-3-amine
CID 84686145
1-(1-propylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426780

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine (CID 116616919) is 1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine is NC1CCCN(CCSC(F)(F)F)C1.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The InChIKey is KQFNWPUFYRNNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S/c9-8(10,11)14-5-4-13-3-1-2-7(12)6-13/h7H,1-6,12H2.
What are the key properties of 1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine has a molecular weight of 228.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 116616919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).