3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine

C12H18FN3O2S — CID 103298431

IUPAC3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ncccc2F)CCC1N
InChIInChI=1S/C12H18FN3O2S/c1-2-9-8-16(7-5-11(9)14)19(17,18)12-10(13)4-3-6-15-12/h3-4,6,9,11H,2,5,7-8,14H2,1H3
InChIKeyGGJCORVWQVIDOP-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.97
Rot. Bonds3

About 3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine

3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine (PubChem CID 103298431) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
PubChem CID103298431
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ncccc2F)CCC1N
InChIInChI=1S/C12H18FN3O2S/c1-2-9-8-16(7-5-11(9)14)19(17,18)12-10(13)4-3-6-15-12/h3-4,6,9,11H,2,5,7-8,14H2,1H3
InChIKeyGGJCORVWQVIDOP-UHFFFAOYSA-N
XLogP0.97
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
CID 103302923
1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 103300086
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
CID 103298412
N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 103308642
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 107093333
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867
(3aR,7aS)-2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 103302388
3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine
CID 103299373

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine (CID 103298431) is 3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine is CCC1CN(S(=O)(=O)c2ncccc2F)CCC1N.
What is the InChIKey of 3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine?
The InChIKey is GGJCORVWQVIDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-2-9-8-16(7-5-11(9)14)19(17,18)12-10(13)4-3-6-15-12/h3-4,6,9,11H,2,5,7-8,14H2,1H3.
What are the key properties of 3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine?
3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine is sourced from PubChem (CID 103298431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).