5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one

C17H25FN2O2S — CID 45173822

IUPAC5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one
SMILESCSCCN1C(=O)CCC1CCNCCOc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2S/c1-23-13-11-20-15(4-7-17(20)21)8-9-19-10-12-22-16-5-2-14(18)3-6-16/h2-3,5-6,15,19H,4,7-13H2,1H3
InChIKeyDQQQYIHPSNZQKN-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.54
Rot. Bonds10

About 5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one

5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one (PubChem CID 45173822) has the molecular formula C17H25FN2O2S and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one
PubChem CID45173822
Molecular FormulaC17H25FN2O2S
Molecular Weight340.46 g/mol
Exact Mass340.16
IUPAC Name5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one
SMILESCSCCN1C(=O)CCC1CCNCCOc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2S/c1-23-13-11-20-15(4-7-17(20)21)8-9-19-10-12-22-16-5-2-14(18)3-6-16/h2-3,5-6,15,19H,4,7-13H2,1H3
InChIKeyDQQQYIHPSNZQKN-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one 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 5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one?
The IUPAC name of 5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one (CID 45173822) is 5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one?
The canonical SMILES for 5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one is CSCCN1C(=O)CCC1CCNCCOc1ccc(F)cc1.
What is the InChIKey of 5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one?
The InChIKey is DQQQYIHPSNZQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c1-23-13-11-20-15(4-7-17(20)21)8-9-19-10-12-22-16-5-2-14(18)3-6-16/h2-3,5-6,15,19H,4,7-13H2,1H3.
What are the key properties of 5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one?
5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one has a molecular weight of 340.46 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one is sourced from PubChem (CID 45173822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).