1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine

C14H19F3N2S — CID 104755276

IUPAC1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
SMILESNC(CSc1ccc(C(F)(F)F)cn1)C1CCCCC1
InChIInChI=1S/C14H19F3N2S/c15-14(16,17)11-6-7-13(19-8-11)20-9-12(18)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9,18H2
InChIKeyPVLCLTUPOPWAJX-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.10
Rot. Bonds4

About 1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine

1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine (PubChem CID 104755276) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
PubChem CID104755276
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC Name1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
SMILESNC(CSc1ccc(C(F)(F)F)cn1)C1CCCCC1
InChIInChI=1S/C14H19F3N2S/c15-14(16,17)11-6-7-13(19-8-11)20-9-12(18)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9,18H2
InChIKeyPVLCLTUPOPWAJX-UHFFFAOYSA-N
XLogP4.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
CID 64619378
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine
CID 62577316
1-cyclohexyl-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755796
N-[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butyl]cyclopropanamine
CID 62578799
2-(cyclopropylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol
CID 64805558
2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 64806386
[3-oxo-5-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-yl]cyclohexen-1-yl]oxidanium
CID 149147420
N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 51184992
1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 134028786
1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 78796902
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
N-(4-hydroxycyclohexyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 78794481

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The IUPAC name of 1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine (CID 104755276) is 1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine is NC(CSc1ccc(C(F)(F)F)cn1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The InChIKey is PVLCLTUPOPWAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c15-14(16,17)11-6-7-13(19-8-11)20-9-12(18)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9,18H2.
What are the key properties of 1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine has a molecular weight of 304.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine is sourced from PubChem (CID 104755276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).