N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine

C14H21FN2O2S — CID 63169136

IUPACN,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C14H21FN2O2S/c1-3-16(4-2)12-9-10-17(11-12)20(18,19)14-8-6-5-7-13(14)15/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeySVAIEMONCOKPRB-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.93
Rot. Bonds5

About N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine

N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine (PubChem CID 63169136) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
PubChem CID63169136
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C14H21FN2O2S/c1-3-16(4-2)12-9-10-17(11-12)20(18,19)14-8-6-5-7-13(14)15/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeySVAIEMONCOKPRB-UHFFFAOYSA-N
XLogP1.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine (CID 63169136) is N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2ccccc2F)C1.
What is the InChIKey of N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is SVAIEMONCOKPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-3-16(4-2)12-9-10-17(11-12)20(18,19)14-8-6-5-7-13(14)15/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine?
N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 300.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 63169136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).