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

C16H25NO2S — CID 3828191

IUPAC2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2C)c1C
InChIInChI=1S/C16H25NO2S/c1-11-10-12(2)15(5)16(14(11)4)20(18,19)17-9-7-6-8-13(17)3/h10,13H,6-9H2,1-5H3
InChIKeyGFZRRHNYHUDQBP-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.48
Rot. Bonds2

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

2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine (PubChem CID 3828191) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
PubChem CID3828191
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2C)c1C
InChIInChI=1S/C16H25NO2S/c1-11-10-12(2)15(5)16(14(11)4)20(18,19)17-9-7-6-8-13(17)3/h10,13H,6-9H2,1-5H3
InChIKeyGFZRRHNYHUDQBP-UHFFFAOYSA-N
XLogP3.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
The IUPAC name of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine (CID 3828191) is 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2C)c1C.
What is the InChIKey of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
The InChIKey is GFZRRHNYHUDQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-11-10-12(2)15(5)16(14(11)4)20(18,19)17-9-7-6-8-13(17)3/h10,13H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine?
2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine has a molecular weight of 295.45 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 3828191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).