3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine

C11H20F3NS — CID 106010724

IUPAC3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
SMILESFC(F)(F)SCCNCCCC1CCCC1
InChIInChI=1S/C11H20F3NS/c12-11(13,14)16-9-8-15-7-3-6-10-4-1-2-5-10/h10,15H,1-9H2
InChIKeyOCPUXODXVKBTNO-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.80
Rot. Bonds7

About 3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine

3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine (PubChem CID 106010724) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
PubChem CID106010724
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
SMILESFC(F)(F)SCCNCCCC1CCCC1
InChIInChI=1S/C11H20F3NS/c12-11(13,14)16-9-8-15-7-3-6-10-4-1-2-5-10/h10,15H,1-9H2
InChIKeyOCPUXODXVKBTNO-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine (CID 106010724) is 3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine is FC(F)(F)SCCNCCCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
The InChIKey is OCPUXODXVKBTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c12-11(13,14)16-9-8-15-7-3-6-10-4-1-2-5-10/h10,15H,1-9H2.
What are the key properties of 3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 106010724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).