1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine

C12H18FN3O2S — CID 63255090

IUPAC1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H18FN3O2S/c1-9(14)12-4-2-3-5-16(12)19(17,18)11-6-10(13)7-15-8-11/h6-9,12H,2-5,14H2,1H3
InChIKeyUMDBAKGWTAZKGV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.11
Rot. Bonds3

About 1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine

1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine (PubChem CID 63255090) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine
PubChem CID63255090
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H18FN3O2S/c1-9(14)12-4-2-3-5-16(12)19(17,18)11-6-10(13)7-15-8-11/h6-9,12H,2-5,14H2,1H3
InChIKeyUMDBAKGWTAZKGV-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965497
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451
3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493
1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965432
(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124570360
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965400
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-2-fluorobenzonitrile;hydrochloride
CID 119965338
1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine
CID 120999576
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965267
4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-3,5-difluorobenzonitrile;hydrochloride
CID 167767086
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine (CID 63255090) is 1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine?
The InChIKey is UMDBAKGWTAZKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-9(14)12-4-2-3-5-16(12)19(17,18)11-6-10(13)7-15-8-11/h6-9,12H,2-5,14H2,1H3.
What are the key properties of 1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine?
1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63255090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).