5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione

C11H21FN2S — CID 176601793

IUPAC5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
SMILESCC(C)N(CCF)CCC1CC(=S)CN1
InChIInChI=1S/C11H21FN2S/c1-9(2)14(6-4-12)5-3-10-7-11(15)8-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyTXIMXJDFESEBBB-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.79
Rot. Bonds6

About 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione

5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione (PubChem CID 176601793) has the molecular formula C11H21FN2S and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione.

Molecular Properties

Compound Name5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
PubChem CID176601793
Molecular FormulaC11H21FN2S
Molecular Weight232.37 g/mol
Exact Mass232.14
IUPAC Name5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
SMILESCC(C)N(CCF)CCC1CC(=S)CN1
InChIInChI=1S/C11H21FN2S/c1-9(2)14(6-4-12)5-3-10-7-11(15)8-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyTXIMXJDFESEBBB-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[[tert-butyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
CID 176600937
5-[[methyl(pentan-3-yl)amino]methyl]pyrrolidine-3-thione
CID 168883231
N-ethyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176601984
N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 176600987
2-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601014
N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 176601704
2-methyl-N-[2-(3-methylpyrrolidin-2-yl)ethyl]-N-propan-2-ylpropan-1-amine
CID 176601781
2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601617
2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601165
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 176601263
N-(2-cyclopropylethyl)-N-propan-2-ylpropan-1-amine
CID 91037766
5-[[di(propan-2-yl)amino]methyl]pyrrolidin-3-one
CID 176601857

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione?
The IUPAC name of 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione (CID 176601793) is 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione.
What is the SMILES notation for 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione?
The canonical SMILES for 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione is CC(C)N(CCF)CCC1CC(=S)CN1.
What is the InChIKey of 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione?
The InChIKey is TXIMXJDFESEBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2S/c1-9(2)14(6-4-12)5-3-10-7-11(15)8-13-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione?
5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione has a molecular weight of 232.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione is sourced from PubChem (CID 176601793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).