1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine

C13H18F2N2O2S — CID 119974697

IUPAC1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-9(16)10-5-7-17(8-6-10)20(18,19)12-4-2-3-11(14)13(12)15/h2-4,9-10H,5-8,16H2,1H3
InChIKeyRHVNBZALOUMNEJ-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.71
Rot. Bonds3

About 1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine

1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine (PubChem CID 119974697) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine
PubChem CID119974697
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-9(16)10-5-7-17(8-6-10)20(18,19)12-4-2-3-11(14)13(12)15/h2-4,9-10H,5-8,16H2,1H3
InChIKeyRHVNBZALOUMNEJ-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 850001
2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 2471805
N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 4194972
4-Methyl-1'-(phenylsulfonyl)-1,4'-bipiperidine
CID 118308417
1-[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627871
N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 2773944
N-[1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 2997897
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155
1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 53361019
1-[2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 53361020
1-[3-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propyl]-4-methylpiperidine
CID 168271960

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine (CID 119974697) is 1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine is CC(N)C1CCN(S(=O)(=O)c2cccc(F)c2F)CC1.
What is the InChIKey of 1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine?
The InChIKey is RHVNBZALOUMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-9(16)10-5-7-17(8-6-10)20(18,19)12-4-2-3-11(14)13(12)15/h2-4,9-10H,5-8,16H2,1H3.
What are the key properties of 1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine?
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine has a molecular weight of 304.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 119974697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).