N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine

C15H23F3N2S — CID 64621878

IUPACN-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine
SMILESCCCC(NCC)C(CC)Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H23F3N2S/c1-4-7-12(19-6-3)13(5-2)21-14-9-8-11(10-20-14)15(16,17)18/h8-10,12-13,19H,4-7H2,1-3H3
InChIKeyUHZMMOLDMCRFPU-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.75
Rot. Bonds8

About N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine

N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine (PubChem CID 64621878) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine
PubChem CID64621878
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC NameN-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine
SMILESCCCC(NCC)C(CC)Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H23F3N2S/c1-4-7-12(19-6-3)13(5-2)21-14-9-8-11(10-20-14)15(16,17)18/h8-10,12-13,19H,4-7H2,1-3H3
InChIKeyUHZMMOLDMCRFPU-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine 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 N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine?
The IUPAC name of N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine (CID 64621878) is N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine.
What is the SMILES notation for N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine?
The canonical SMILES for N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine is CCCC(NCC)C(CC)Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine?
The InChIKey is UHZMMOLDMCRFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-4-7-12(19-6-3)13(5-2)21-14-9-8-11(10-20-14)15(16,17)18/h8-10,12-13,19H,4-7H2,1-3H3.
What are the key properties of N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine?
N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine has a molecular weight of 320.42 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]heptan-4-amine is sourced from PubChem (CID 64621878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).