2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine

C15H22FNO2S — CID 134964505

IUPAC2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)(C)CCC2CF)cc1
InChIInChI=1S/C15H22FNO2S/c1-12-4-6-14(7-5-12)20(18,19)17-11-15(2,3)9-8-13(17)10-16/h4-7,13H,8-11H2,1-3H3
InChIKeyZXBOWNXBEIRIHJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.14
Rot. Bonds3

About 2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine

2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 134964505) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID134964505
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)(C)CCC2CF)cc1
InChIInChI=1S/C15H22FNO2S/c1-12-4-6-14(7-5-12)20(18,19)17-11-15(2,3)9-8-13(17)10-16/h4-7,13H,8-11H2,1-3H3
InChIKeyZXBOWNXBEIRIHJ-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 102531055
5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine
CID 102436377
1-[[4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-2,2,6,6-tetramethylpiperidine
CID 78099254
N-hydroxy-5,5-dimethyl-1,3-bis-(4-methylphenyl)sulfonyl-1,3-diazinane-2-carboxamide
CID 59079719
acetic acid;2-methanidyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine;palladium
CID 135032555
1-(benzenesulfonyl)-2,5,5-trimethylpiperidine
CID 24799740
(3S,6R)-6-benzyl-1,7-bis-(4-methylphenyl)sulfonyl-1,7-diazaspiro[2.5]octane
CID 10929319
[2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 15707467
6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
CID 101373592
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
2-[(2-methoxyphenyl)methyl]-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 102528787
1-(4-methylphenyl)sulfonyl-2-[2-[2-[1-(4-methylphenyl)sulfonylazetidin-2-yl]ethoxy]ethyl]azetidine
CID 165355383

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine (CID 134964505) is 2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CC(C)(C)CCC2CF)cc1.
What is the InChIKey of 2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is ZXBOWNXBEIRIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-12-4-6-14(7-5-12)20(18,19)17-11-15(2,3)9-8-13(17)10-16/h4-7,13H,8-11H2,1-3H3.
What are the key properties of 2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 299.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 134964505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).