1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine

C13H18FNO2S — CID 62122855

IUPAC1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2ccccc2F)C1C
InChIInChI=1S/C13H18FNO2S/c1-10-6-5-9-15(11(10)2)18(16,17)13-8-4-3-7-12(13)14/h3-4,7-8,10-11H,5-6,9H2,1-2H3
InChIKeyXDXNYMXSURHALO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds2

About 1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine

1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine (PubChem CID 62122855) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine
PubChem CID62122855
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2ccccc2F)C1C
InChIInChI=1S/C13H18FNO2S/c1-10-6-5-9-15(11(10)2)18(16,17)13-8-4-3-7-12(13)14/h3-4,7-8,10-11H,5-6,9H2,1-2H3
InChIKeyXDXNYMXSURHALO-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)sulfonyl-3-methylpiperidine-2-carboxylic acid
CID 107070159
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79186814
2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 61045786
2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
CID 79539689
2-(3-bromopropyl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 80674099
1-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79545883
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 78989322
4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 124967389
3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine
CID 107070797
[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586366
2-(bromomethyl)-1-(2-fluorophenyl)sulfonylazepane
CID 116639734

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine (CID 62122855) is 1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine is CC1CCCN(S(=O)(=O)c2ccccc2F)C1C.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine?
The InChIKey is XDXNYMXSURHALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-10-6-5-9-15(11(10)2)18(16,17)13-8-4-3-7-12(13)14/h3-4,7-8,10-11H,5-6,9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine?
1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine has a molecular weight of 271.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine is sourced from PubChem (CID 62122855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).