1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine

C16H26N2O4S — CID 6460171

IUPAC1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCCOc1cc(S(=O)(=O)N2CCN(C)CC2)c(OCC)cc1C
InChIInChI=1S/C16H26N2O4S/c1-5-21-14-12-16(15(22-6-2)11-13(14)3)23(19,20)18-9-7-17(4)8-10-18/h11-12H,5-10H2,1-4H3
InChIKeyCDFQWAPWNMUSTL-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.73
Rot. Bonds6

About 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine

1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 6460171) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
PubChem CID6460171
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCCOc1cc(S(=O)(=O)N2CCN(C)CC2)c(OCC)cc1C
InChIInChI=1S/C16H26N2O4S/c1-5-21-14-12-16(15(22-6-2)11-13(14)3)23(19,20)18-9-7-17(4)8-10-18/h11-12H,5-10H2,1-4H3
InChIKeyCDFQWAPWNMUSTL-UHFFFAOYSA-N
XLogP1.73
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
CID 110757988
1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 6460147
N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 51699027
1-(3-chloro-4-methylphenyl)-4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91669904
3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121053243
1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 1287876
1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944020
1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine
CID 146095918
ethyl 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116381
4-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343394

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine (CID 6460171) is 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine is CCOc1cc(S(=O)(=O)N2CCN(C)CC2)c(OCC)cc1C.
What is the InChIKey of 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is CDFQWAPWNMUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-21-14-12-16(15(22-6-2)11-13(14)3)23(19,20)18-9-7-17(4)8-10-18/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine?
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 342.46 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 6460171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).