2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine

C13H20FN3O2S — CID 103302532

IUPAC2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H20FN3O2S/c1-15-9-7-11-5-2-3-10-17(11)20(18,19)13-12(14)6-4-8-16-13/h4,6,8,11,15H,2-3,5,7,9-10H2,1H3
InChIKeyJHOZUDIOUBPXKW-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.37
Rot. Bonds5

About 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine (PubChem CID 103302532) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine
PubChem CID103302532
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H20FN3O2S/c1-15-9-7-11-5-2-3-10-17(11)20(18,19)13-12(14)6-4-8-16-13/h4,6,8,11,15H,2-3,5,7,9-10H2,1H3
InChIKeyJHOZUDIOUBPXKW-UHFFFAOYSA-N
XLogP1.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 103302482
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide
CID 103300677
[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-2-yl]methanol
CID 103305482
N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine
CID 103415164
N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70754305
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine
CID 103308622
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide
CID 103308737
[(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 97165430
[(2R)-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-2-yl]methanamine
CID 97162685

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine (CID 103302532) is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine is CNCCC1CCCCN1S(=O)(=O)c1ncccc1F.
What is the InChIKey of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine?
The InChIKey is JHOZUDIOUBPXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-15-9-7-11-5-2-3-10-17(11)20(18,19)13-12(14)6-4-8-16-13/h4,6,8,11,15H,2-3,5,7,9-10H2,1H3.
What are the key properties of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine?
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine has a molecular weight of 301.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 103302532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).