2-(3-fluoropropylsulfinyl)ethanamine

C5H12FNOS — CID 58684634

IUPAC2-(3-fluoropropylsulfinyl)ethanamine
SMILESNCCS(=O)CCCF
InChIInChI=1S/C5H12FNOS/c6-2-1-4-9(8)5-3-7/h1-5,7H2
InChIKeyDSOHRDLKIRIPOT-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.05
Rot. Bonds5

About 2-(3-fluoropropylsulfinyl)ethanamine

2-(3-fluoropropylsulfinyl)ethanamine (PubChem CID 58684634) has the molecular formula C5H12FNOS and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoropropylsulfinyl)ethanamine
PubChem CID58684634
Molecular FormulaC5H12FNOS
Molecular Weight153.22 g/mol
Exact Mass153.06
IUPAC Name2-(3-fluoropropylsulfinyl)ethanamine
SMILESNCCS(=O)CCCF
InChIInChI=1S/C5H12FNOS/c6-2-1-4-9(8)5-3-7/h1-5,7H2
InChIKeyDSOHRDLKIRIPOT-UHFFFAOYSA-N
XLogP0.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoropropylsulfinyl)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-fluoropropylsulfinyl)ethanamine?
The IUPAC name of 2-(3-fluoropropylsulfinyl)ethanamine (CID 58684634) is 2-(3-fluoropropylsulfinyl)ethanamine.
What is the SMILES notation for 2-(3-fluoropropylsulfinyl)ethanamine?
The canonical SMILES for 2-(3-fluoropropylsulfinyl)ethanamine is NCCS(=O)CCCF.
What is the InChIKey of 2-(3-fluoropropylsulfinyl)ethanamine?
The InChIKey is DSOHRDLKIRIPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNOS/c6-2-1-4-9(8)5-3-7/h1-5,7H2.
What are the key properties of 2-(3-fluoropropylsulfinyl)ethanamine?
2-(3-fluoropropylsulfinyl)ethanamine has a molecular weight of 153.22 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfinyl)ethanamine is sourced from PubChem (CID 58684634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).