N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C15H20F3N3S — CID 97194477

IUPACN-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(N[C@H]3CCSC3)CC2)nc1
InChIInChI=1S/C15H20F3N3S/c16-15(17,18)11-1-2-14(19-9-11)21-6-3-12(4-7-21)20-13-5-8-22-10-13/h1-2,9,12-13,20H,3-8,10H2/t13-/m0/s1
InChIKeyLWAPIXQARTVBDG-ZDUSSCGKSA-N
MW331.41 g/mol
LogP3.16
Rot. Bonds3

About N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 97194477) has the molecular formula C15H20F3N3S and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID97194477
Molecular FormulaC15H20F3N3S
Molecular Weight331.41 g/mol
Exact Mass331.13
IUPAC NameN-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(N[C@H]3CCSC3)CC2)nc1
InChIInChI=1S/C15H20F3N3S/c16-15(17,18)11-1-2-14(19-9-11)21-6-3-12(4-7-21)20-13-5-8-22-10-13/h1-2,9,12-13,20H,3-8,10H2/t13-/m0/s1
InChIKeyLWAPIXQARTVBDG-ZDUSSCGKSA-N
XLogP3.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111040
N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 77463574
1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
CID 119843831
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111019
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 97194477) is N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is FC(F)(F)c1ccc(N2CCC(N[C@H]3CCSC3)CC2)nc1.
What is the InChIKey of N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is LWAPIXQARTVBDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20F3N3S/c16-15(17,18)11-1-2-14(19-9-11)21-6-3-12(4-7-21)20-13-5-8-22-10-13/h1-2,9,12-13,20H,3-8,10H2/t13-/m0/s1.
What are the key properties of N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 331.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 97194477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).