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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).