1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine

C13H19FN2O2S — CID 119959097

IUPAC1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CCC(N)CC2)cc(C)c1F
InChIInChI=1S/C13H19FN2O2S/c1-9-7-12(8-10(2)13(9)14)19(17,18)16-5-3-11(15)4-6-16/h7-8,11H,3-6,15H2,1-2H3
InChIKeyQEUJPRBNJWULSJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.55
Rot. Bonds2

About 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine

1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine (PubChem CID 119959097) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine
PubChem CID119959097
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CCC(N)CC2)cc(C)c1F
InChIInChI=1S/C13H19FN2O2S/c1-9-7-12(8-10(2)13(9)14)19(17,18)16-5-3-11(15)4-6-16/h7-8,11H,3-6,15H2,1-2H3
InChIKeyQEUJPRBNJWULSJ-UHFFFAOYSA-N
XLogP1.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine (CID 119959097) is 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine is Cc1cc(S(=O)(=O)N2CCC(N)CC2)cc(C)c1F.
What is the InChIKey of 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is QEUJPRBNJWULSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9-7-12(8-10(2)13(9)14)19(17,18)16-5-3-11(15)4-6-16/h7-8,11H,3-6,15H2,1-2H3.
What are the key properties of 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine?
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 286.37 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 119959097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).