1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine

C15H23NO4S — CID 3151801

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1OC
InChIInChI=1S/C15H23NO4S/c1-11-7-12(2)10-16(9-11)21(17,18)13-5-6-14(19-3)15(8-13)20-4/h5-6,8,11-12H,7,9-10H2,1-4H3
InChIKeyXTHZBJOZPGTQHB-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.37
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine

1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 3151801) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID3151801
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1OC
InChIInChI=1S/C15H23NO4S/c1-11-7-12(2)10-16(9-11)21(17,18)13-5-6-14(19-3)15(8-13)20-4/h5-6,8,11-12H,7,9-10H2,1-4H3
InChIKeyXTHZBJOZPGTQHB-UHFFFAOYSA-N
XLogP2.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine
CID 2455954
1-((p-Methoxyphenyl)sulfonyl)piperidine
CID 247209
N-hexyl-3,4-dimethoxybenzenesulfonamide
CID 3243273
1-[1-(1,3-Benzodioxol-5-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine
CID 138628017
1-[1-(3,4-Dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146628301
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-methylpiperidine
CID 761426
1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine
CID 778310
1-(3,4-Dimethoxybenzenesulfonyl)piperidine-4-carboxylic acid
CID 754890
Methyl 1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxylate
CID 737721
1-(2,5-Dimethoxy-benzenesulfonyl)-3-methyl-piperidine
CID 3132625

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine (CID 3151801) is 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine is COc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is XTHZBJOZPGTQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11-7-12(2)10-16(9-11)21(17,18)13-5-6-14(19-3)15(8-13)20-4/h5-6,8,11-12H,7,9-10H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 313.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 3151801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).