1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine

C16H24FNO2S — CID 107327541

IUPAC1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H24FNO2S/c1-10-6-11(2)14(5)18(9-10)21(19,20)16-12(3)7-15(17)8-13(16)4/h7-8,10-11,14H,6,9H2,1-5H3
InChIKeyYSGVGHDOAOIPAR-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.50
Rot. Bonds2

About 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine

1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine (PubChem CID 107327541) has the molecular formula C16H24FNO2S and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine
PubChem CID107327541
Molecular FormulaC16H24FNO2S
Molecular Weight313.44 g/mol
Exact Mass313.15
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H24FNO2S/c1-10-6-11(2)14(5)18(9-10)21(19,20)16-12(3)7-15(17)8-13(16)4/h7-8,10-11,14H,6,9H2,1-5H3
InChIKeyYSGVGHDOAOIPAR-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591883
1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701
2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591895
1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107650396
1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-2,3,5-trimethylpiperidine
CID 102920193
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106094
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 107328373
[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 114597642
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591939
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine (CID 107327541) is 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine is Cc1cc(F)cc(C)c1S(=O)(=O)N1CC(C)CC(C)C1C.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine?
The InChIKey is YSGVGHDOAOIPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2S/c1-10-6-11(2)14(5)18(9-10)21(19,20)16-12(3)7-15(17)8-13(16)4/h7-8,10-11,14H,6,9H2,1-5H3.
What are the key properties of 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine?
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine has a molecular weight of 313.44 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine is sourced from PubChem (CID 107327541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).