3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine

C17H27NO2S — CID 2930648

IUPAC3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C17H27NO2S/c1-11-7-12(2)10-18(9-11)21(19,20)17-15(5)13(3)8-14(4)16(17)6/h8,11-12H,7,9-10H2,1-6H3
InChIKeyQAYIDJSHBSDJRM-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.59
Rot. Bonds2

About 3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine

3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine (PubChem CID 2930648) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
PubChem CID2930648
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C17H27NO2S/c1-11-7-12(2)10-18(9-11)21(19,20)17-15(5)13(3)8-14(4)16(17)6/h8,11-12H,7,9-10H2,1-6H3
InChIKeyQAYIDJSHBSDJRM-UHFFFAOYSA-N
XLogP3.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 700222
N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 2979217
2-[(2,3,5,6-Tetramethylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 3839722
N,N-Dimethyl-3-((S)-1-propyl-piperidin-3-yl)-benzenesulfonamide
CID 10018300
[2-(3,4-Dimethylphenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479871
4-Methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 801435
1-Methyl-4-[(2,3,5,6-tetramethylphenyl)sulfonyl]piperazine
CID 897460
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine
CID 2431957
N,2,3,5,6-pentamethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 16245372
1-(3,4-Dimethyl-5-(piperidin-1-ylsulfonyl)phenyl)-3,3-dimethylpentan-2-one
CID 53324935
1-Methyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepane
CID 2384257
4-[(2,3,5,6-Tetramethylphenyl)sulfonyl]thiomorpholine
CID 6462784

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
The IUPAC name of 3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine (CID 2930648) is 3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
The canonical SMILES for 3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine is Cc1cc(C)c(C)c(S(=O)(=O)N2CC(C)CC(C)C2)c1C.
What is the InChIKey of 3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
The InChIKey is QAYIDJSHBSDJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-11-7-12(2)10-18(9-11)21(19,20)17-15(5)13(3)8-14(4)16(17)6/h8,11-12H,7,9-10H2,1-6H3.
What are the key properties of 3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
3,5-dimethyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine has a molecular weight of 309.48 g/mol, XLogP of 3.59, 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-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 2930648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).