[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine

C15H23FN2O2S — CID 107328297

IUPAC[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCCC(C)C1CN
InChIInChI=1S/C15H23FN2O2S/c1-10-5-4-6-18(14(10)9-17)21(19,20)15-11(2)7-13(16)8-12(15)3/h7-8,10,14H,4-6,9,17H2,1-3H3
InChIKeyDLHXLAJBTAUSOF-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.19
Rot. Bonds3

About [1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine

[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine (PubChem CID 107328297) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is [1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
PubChem CID107328297
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCCC(C)C1CN
InChIInChI=1S/C15H23FN2O2S/c1-10-5-4-6-18(14(10)9-17)21(19,20)15-11(2)7-13(16)8-12(15)3/h7-8,10,14H,4-6,9,17H2,1-3H3
InChIKeyDLHXLAJBTAUSOF-UHFFFAOYSA-N
XLogP2.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 107327561
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944
[1-(2,4-difluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984795
[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107328232
[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984882
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylazepane
CID 107327191
[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 102553899
[3-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984901
3-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 107327086
1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 107328244
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-6-methylpiperidin-2-yl]methanamine
CID 107328295
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 119984868

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine (CID 107328297) is [1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine is Cc1cc(F)cc(C)c1S(=O)(=O)N1CCCC(C)C1CN.
What is the InChIKey of [1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The InChIKey is DLHXLAJBTAUSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-10-5-4-6-18(14(10)9-17)21(19,20)15-11(2)7-13(16)8-12(15)3/h7-8,10,14H,4-6,9,17H2,1-3H3.
What are the key properties of [1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine has a molecular weight of 314.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 107328297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).