2-(3-fluoropropylsulfanyl)ethanamine

C5H12FNS — CID 58684720

IUPAC2-(3-fluoropropylsulfanyl)ethanamine
SMILESNCCSCCCF
InChIInChI=1S/C5H12FNS/c6-2-1-4-8-5-3-7/h1-5,7H2
InChIKeyRSNZZKIFZOBOLG-UHFFFAOYSA-N
MW137.22 g/mol
LogP1.04
Rot. Bonds5

About 2-(3-fluoropropylsulfanyl)ethanamine

2-(3-fluoropropylsulfanyl)ethanamine (PubChem CID 58684720) has the molecular formula C5H12FNS and a molecular weight of 137.22 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoropropylsulfanyl)ethanamine
PubChem CID58684720
Molecular FormulaC5H12FNS
Molecular Weight137.22 g/mol
Exact Mass137.07
IUPAC Name2-(3-fluoropropylsulfanyl)ethanamine
SMILESNCCSCCCF
InChIInChI=1S/C5H12FNS/c6-2-1-4-8-5-3-7/h1-5,7H2
InChIKeyRSNZZKIFZOBOLG-UHFFFAOYSA-N
XLogP1.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-fluoropropylsulfanyl)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 2-(3-fluoropropylsulfanyl)ethanamine?
The IUPAC name of 2-(3-fluoropropylsulfanyl)ethanamine (CID 58684720) is 2-(3-fluoropropylsulfanyl)ethanamine.
What is the SMILES notation for 2-(3-fluoropropylsulfanyl)ethanamine?
The canonical SMILES for 2-(3-fluoropropylsulfanyl)ethanamine is NCCSCCCF.
What is the InChIKey of 2-(3-fluoropropylsulfanyl)ethanamine?
The InChIKey is RSNZZKIFZOBOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNS/c6-2-1-4-8-5-3-7/h1-5,7H2.
What are the key properties of 2-(3-fluoropropylsulfanyl)ethanamine?
2-(3-fluoropropylsulfanyl)ethanamine has a molecular weight of 137.22 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfanyl)ethanamine is sourced from PubChem (CID 58684720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).