1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine

C10H11F3N2O2S — CID 55029986

IUPAC1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C10H11F3N2O2S/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-2-1-7(14)5-15/h3-4,7H,1-2,5,14H2
InChIKeyQNSRHLQXZWYBFA-UHFFFAOYSA-N
MW280.27 g/mol
LogP0.83
Rot. Bonds2

About 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine

1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine (PubChem CID 55029986) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine
PubChem CID55029986
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C10H11F3N2O2S/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-2-1-7(14)5-15/h3-4,7H,1-2,5,14H2
InChIKeyQNSRHLQXZWYBFA-UHFFFAOYSA-N
XLogP0.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962604
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine
CID 43605515
3-bromo-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidine
CID 80668908
(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine
CID 119962853
(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62063051
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
(3R)-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-3-amine
CID 115301799
(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
CID 94340426
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023
methyl 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidine-3-carboxylate
CID 78968691

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine (CID 55029986) is 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine is NC1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1.
What is the InChIKey of 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is QNSRHLQXZWYBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c11-6-3-8(12)10(9(13)4-6)18(16,17)15-2-1-7(14)5-15/h3-4,7H,1-2,5,14H2.
What are the key properties of 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine?
1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 280.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 55029986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).