(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine

C13H19FN2O2S — CID 124553884

IUPAC(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
SMILESC[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H19FN2O2S/c1-10(15)11-4-3-7-16(9-11)19(17,18)13-6-2-5-12(14)8-13/h2,5-6,8,10-11H,3-4,7,9,15H2,1H3/t10-,11+/m0/s1
InChIKeyHWSSQNNJGYUBKU-WDEREUQCSA-N
MW286.37 g/mol
LogP1.57
Rot. Bonds3

About (1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine

(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine (PubChem CID 124553884) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is (1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
PubChem CID124553884
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
SMILESC[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H19FN2O2S/c1-10(15)11-4-3-7-16(9-11)19(17,18)13-6-2-5-12(14)8-13/h2,5-6,8,10-11H,3-4,7,9,15H2,1H3/t10-,11+/m0/s1
InChIKeyHWSSQNNJGYUBKU-WDEREUQCSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976185
(1R)-1-[(3S)-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 129379188
1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132900
5-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]sulfonyl-2-fluorobenzonitrile
CID 129369876
N-[4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide
CID 119984443
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710910
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119984380
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951
(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124684747
1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine?
The IUPAC name of (1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine (CID 124553884) is (1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine.
What is the SMILES notation for (1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine?
The canonical SMILES for (1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine is C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of (1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine?
The InChIKey is HWSSQNNJGYUBKU-WDEREUQCSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10(15)11-4-3-7-16(9-11)19(17,18)13-6-2-5-12(14)8-13/h2,5-6,8,10-11H,3-4,7,9,15H2,1H3/t10-,11+/m0/s1.
What are the key properties of (1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine?
(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine has a molecular weight of 286.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 124553884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).