[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine

C14H21FN2O2S — CID 119969291

IUPAC[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCCCC2CN)cc(C)c1F
InChIInChI=1S/C14H21FN2O2S/c1-10-7-13(8-11(2)14(10)15)20(18,19)17-6-4-3-5-12(17)9-16/h7-8,12H,3-6,9,16H2,1-2H3
InChIKeyXKNAGDDSZHEYBY-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.94
Rot. Bonds3

About [1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine

[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine (PubChem CID 119969291) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is [1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
PubChem CID119969291
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCCCC2CN)cc(C)c1F
InChIInChI=1S/C14H21FN2O2S/c1-10-7-13(8-11(2)14(10)15)20(18,19)17-6-4-3-5-12(17)9-16/h7-8,12H,3-6,9,16H2,1-2H3
InChIKeyXKNAGDDSZHEYBY-UHFFFAOYSA-N
XLogP1.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988722
[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969331
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124573759
dimethyl 5-[2-(aminomethyl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 119969379
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969346
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine
CID 120707945
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119969443
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[(2R)-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-2-yl]methanamine
CID 97162685

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine (CID 119969291) is [1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine is Cc1cc(S(=O)(=O)N2CCCCC2CN)cc(C)c1F.
What is the InChIKey of [1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine?
The InChIKey is XKNAGDDSZHEYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10-7-13(8-11(2)14(10)15)20(18,19)17-6-4-3-5-12(17)9-16/h7-8,12H,3-6,9,16H2,1-2H3.
What are the key properties of [1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine?
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine has a molecular weight of 300.40 g/mol, XLogP of 1.94, 3 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-2-yl]methanamine is sourced from PubChem (CID 119969291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).