4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine

C15H23NO4S2 — CID 90585225

IUPAC4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1C
InChIInChI=1S/C15H23NO4S2/c1-11-9-13(3)15(10-12(11)2)22(19,20)16-7-5-14(6-8-16)21(4,17)18/h9-10,14H,5-8H2,1-4H3
InChIKeyKYAITCPLZPXGNZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.81
Rot. Bonds3

About 4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine

4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine (PubChem CID 90585225) has the molecular formula C15H23NO4S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
PubChem CID90585225
Molecular FormulaC15H23NO4S2
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC Name4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1C
InChIInChI=1S/C15H23NO4S2/c1-11-9-13(3)15(10-12(11)2)22(19,20)16-7-5-14(6-8-16)21(4,17)18/h9-10,14H,5-8H2,1-4H3
InChIKeyKYAITCPLZPXGNZ-UHFFFAOYSA-N
XLogP1.81
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-5-nitrophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585251
ethyl 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116367
1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol
CID 23853542
3-(4-methylpiperidin-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052901
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590318
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590279
4-methylsulfonyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 90585229
3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 7287711
1-[6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843188
1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90586568
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine?
The IUPAC name of 4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine (CID 90585225) is 4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine is Cc1cc(C)c(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1C.
What is the InChIKey of 4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine?
The InChIKey is KYAITCPLZPXGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S2/c1-11-9-13(3)15(10-12(11)2)22(19,20)16-7-5-14(6-8-16)21(4,17)18/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine?
4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine has a molecular weight of 345.49 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 90585225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).