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

C11H13F3N2S — CID 64619378

IUPAC1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
SMILESNC(CSc1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C11H13F3N2S/c12-11(13,14)8-3-4-10(16-5-8)17-6-9(15)7-1-2-7/h3-5,7,9H,1-2,6,15H2
InChIKeySNVKQNQWKIYRAQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.93
Rot. Bonds4

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

1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine (PubChem CID 64619378) has the molecular formula C11H13F3N2S and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
PubChem CID64619378
Molecular FormulaC11H13F3N2S
Molecular Weight262.30 g/mol
Exact Mass262.08
IUPAC Name1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
SMILESNC(CSc1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C11H13F3N2S/c12-11(13,14)8-3-4-10(16-5-8)17-6-9(15)7-1-2-7/h3-5,7,9H,1-2,6,15H2
InChIKeySNVKQNQWKIYRAQ-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
CID 104755276
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-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]cyclohexanamine
CID 62577316
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
N-[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butyl]cyclopropanamine
CID 62578799
2-(cyclopropylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol
CID 64805558
N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 98271516
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine
CID 43082813
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanal
CID 14347987
1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 78796902
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropylethane-1,2-diamine
CID 63760239

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine (CID 64619378) is 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine is NC(CSc1ccc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
The InChIKey is SNVKQNQWKIYRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2S/c12-11(13,14)8-3-4-10(16-5-8)17-6-9(15)7-1-2-7/h3-5,7,9H,1-2,6,15H2.
What are the key properties of 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine?
1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine has a molecular weight of 262.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine is sourced from PubChem (CID 64619378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).