1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol

C11H15FN2O3S — CID 63288683

IUPAC1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
SMILESNCc1cc(S(=O)(=O)N2CCC(O)C2)ccc1F
InChIInChI=1S/C11H15FN2O3S/c12-11-2-1-10(5-8(11)6-13)18(16,17)14-4-3-9(15)7-14/h1-2,5,9,15H,3-4,6-7,13H2
InChIKeyGWNUAKCVXVJNLX-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.04
Rot. Bonds3

About 1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol

1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol (PubChem CID 63288683) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
PubChem CID63288683
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
SMILESNCc1cc(S(=O)(=O)N2CCC(O)C2)ccc1F
InChIInChI=1S/C11H15FN2O3S/c12-11-2-1-10(5-8(11)6-13)18(16,17)14-4-3-9(15)7-14/h1-2,5,9,15H,3-4,6-7,13H2
InChIKeyGWNUAKCVXVJNLX-UHFFFAOYSA-N
XLogP0.04
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227335
[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 63623393
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 55171349
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanamine
CID 28716694
[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 28716722
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
CID 104958532
2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol
CID 63288121
(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 82854595
[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
CID 63288078

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol (CID 63288683) is 1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol is NCc1cc(S(=O)(=O)N2CCC(O)C2)ccc1F.
What is the InChIKey of 1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol?
The InChIKey is GWNUAKCVXVJNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c12-11-2-1-10(5-8(11)6-13)18(16,17)14-4-3-9(15)7-14/h1-2,5,9,15H,3-4,6-7,13H2.
What are the key properties of 1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol?
1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol has a molecular weight of 274.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 63288683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).