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

C8H15F3N2S — CID 102985288

IUPAC(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(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/t7-/m1/s1
InChIKeyKQFNWPUFYRNNSG-SSDOTTSWSA-N
MW228.28 g/mol
LogP1.66
Rot. Bonds3

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

(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine (PubChem CID 102985288) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
PubChem CID102985288
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC Name(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(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/t7-/m1/s1
InChIKeyKQFNWPUFYRNNSG-SSDOTTSWSA-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

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Related Compounds

N-(2,2,2-trifluoroethylsulfanyl)piperidin-3-amine
CID 130373392
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
3,3,3-Trifluoro-2-thiomorpholin-4-ylpropan-1-amine
CID 43752683
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-1-amine
CID 43753140
4-Methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 60810555
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-2-amine
CID 61647909
1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62558863
N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63980758
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63983391
1,1,1-Trifluoro-2-(3-methylthiomorpholin-4-yl)pentan-3-amine
CID 64039717
3,3,3-Trifluoro-2-(3-methylthiomorpholin-4-yl)propan-1-amine
CID 64039914

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine (CID 102985288) is (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine is N[C@@H]1CCCN(CCSC(F)(F)F)C1.
What is the InChIKey of (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The InChIKey is KQFNWPUFYRNNSG-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
(3R)-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 (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 102985288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).