1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine

C18H29NO5S2 — CID 90590318

IUPAC1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC(S(=O)(=O)CC(C)C)CC1
InChIInChI=1S/C18H29NO5S2/c1-13(2)12-25(20,21)16-6-8-19(9-7-16)26(22,23)18-11-15(4)14(3)10-17(18)24-5/h10-11,13,16H,6-9,12H2,1-5H3
InChIKeyPSYGAFGTTSXWSR-UHFFFAOYSA-N
MW403.57 g/mol
LogP2.54
Rot. Bonds6

About 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine

1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine (PubChem CID 90590318) has the molecular formula C18H29NO5S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
PubChem CID90590318
Molecular FormulaC18H29NO5S2
Molecular Weight403.57 g/mol
Exact Mass403.15
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC(S(=O)(=O)CC(C)C)CC1
InChIInChI=1S/C18H29NO5S2/c1-13(2)12-25(20,21)16-6-8-19(9-7-16)26(22,23)18-11-15(4)14(3)10-17(18)24-5/h10-11,13,16H,6-9,12H2,1-5H3
InChIKeyPSYGAFGTTSXWSR-UHFFFAOYSA-N
XLogP2.54
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590279
4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
CID 90590315
4-(furan-2-ylmethylsulfonyl)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90590716
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
CID 6463939
4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90589892
1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590341
3-cyclohexylsulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90594028
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845453
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1085521
4-methylsulfonyl-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
CID 90585225
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974814

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine (CID 90590318) is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine is COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(S(=O)(=O)CC(C)C)CC1.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The InChIKey is PSYGAFGTTSXWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO5S2/c1-13(2)12-25(20,21)16-6-8-19(9-7-16)26(22,23)18-11-15(4)14(3)10-17(18)24-5/h10-11,13,16H,6-9,12H2,1-5H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine has a molecular weight of 403.57 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine is sourced from PubChem (CID 90590318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).