4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

C21H27NO2S — CID 146627881

IUPAC4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCc1ccc(C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H27NO2S/c1-15-5-7-19(8-6-15)20-9-11-22(12-10-20)25(23,24)21-17(3)13-16(2)14-18(21)4/h5-8,13-14,20H,9-12H2,1-4H3
InChIKeyOKNBEZYEVDHPNF-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.49
Rot. Bonds3

About 4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (PubChem CID 146627881) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
PubChem CID146627881
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCc1ccc(C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H27NO2S/c1-15-5-7-19(8-6-15)20-9-11-22(12-10-20)25(23,24)21-17(3)13-16(2)14-18(21)4/h5-8,13-14,20H,9-12H2,1-4H3
InChIKeyOKNBEZYEVDHPNF-UHFFFAOYSA-N
XLogP4.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 75932086
1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine
CID 118297009
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 10552105
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-diazabicyclo[2.2.2]octane
CID 118314239
3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 110603860
2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 11754834
N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458647
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol
CID 103896846
azepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27658984
N-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26253473

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (CID 146627881) is 4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is Cc1ccc(C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The InChIKey is OKNBEZYEVDHPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-15-5-7-19(8-6-15)20-9-11-22(12-10-20)25(23,24)21-17(3)13-16(2)14-18(21)4/h5-8,13-14,20H,9-12H2,1-4H3.
What are the key properties of 4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine has a molecular weight of 357.52 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 146627881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).