3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine

C18H29NO2S — CID 2804564

IUPAC3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CC(C)CC(C)C2)c(C)c1C
InChIInChI=1S/C18H29NO2S/c1-11-8-12(2)10-19(9-11)22(20,21)18-16(6)14(4)13(3)15(5)17(18)7/h11-12H,8-10H2,1-7H3
InChIKeySZEVHOOVUOAFRQ-UHFFFAOYSA-N
MW323.50 g/mol
LogP3.90
Rot. Bonds2

About 3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine

3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine (PubChem CID 2804564) has the molecular formula C18H29NO2S and a molecular weight of 323.50 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine
PubChem CID2804564
Molecular FormulaC18H29NO2S
Molecular Weight323.50 g/mol
Exact Mass323.19
IUPAC Name3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CC(C)CC(C)C2)c(C)c1C
InChIInChI=1S/C18H29NO2S/c1-11-8-12(2)10-19(9-11)22(20,21)18-16(6)14(4)13(3)15(5)17(18)7/h11-12H,8-10H2,1-7H3
InChIKeySZEVHOOVUOAFRQ-UHFFFAOYSA-N
XLogP3.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine?
The IUPAC name of 3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine (CID 2804564) is 3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine?
The canonical SMILES for 3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine is Cc1c(C)c(C)c(S(=O)(=O)N2CC(C)CC(C)C2)c(C)c1C.
What is the InChIKey of 3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine?
The InChIKey is SZEVHOOVUOAFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2S/c1-11-8-12(2)10-19(9-11)22(20,21)18-16(6)14(4)13(3)15(5)17(18)7/h11-12H,8-10H2,1-7H3.
What are the key properties of 3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine?
3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine has a molecular weight of 323.50 g/mol, XLogP of 3.90, 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-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 2804564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).