3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine

C14H21NO2S — CID 3769436

IUPAC3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C14H21NO2S/c1-11-4-6-14(7-5-11)18(16,17)15-9-12(2)8-13(3)10-15/h4-7,12-13H,8-10H2,1-3H3
InChIKeyLUMUCYMSWPVTTJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.66
Rot. Bonds2

About 3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine

3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 3769436) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID3769436
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C14H21NO2S/c1-11-4-6-14(7-5-11)18(16,17)15-9-12(2)8-13(3)10-15/h4-7,12-13H,8-10H2,1-3H3
InChIKeyLUMUCYMSWPVTTJ-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044668
(3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044550
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472328
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472325
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine (CID 3769436) is 3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of 3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is LUMUCYMSWPVTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-4-6-14(7-5-11)18(16,17)15-9-12(2)8-13(3)10-15/h4-7,12-13H,8-10H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine?
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 267.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 3769436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).