1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine

C17H28N2O6S2 — CID 56549188

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCC(C)C)CC2)cc1OC
InChIInChI=1S/C17H28N2O6S2/c1-14(2)7-12-26(20,21)18-8-10-19(11-9-18)27(22,23)15-5-6-16(24-3)17(13-15)25-4/h5-6,13-14H,7-12H2,1-4H3
InChIKeyQIUHGSLHCYEMLQ-UHFFFAOYSA-N
MW420.55 g/mol
LogP1.39
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine

1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine (PubChem CID 56549188) has the molecular formula C17H28N2O6S2 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine
PubChem CID56549188
Molecular FormulaC17H28N2O6S2
Molecular Weight420.55 g/mol
Exact Mass420.14
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCC(C)C)CC2)cc1OC
InChIInChI=1S/C17H28N2O6S2/c1-14(2)7-12-26(20,21)18-8-10-19(11-9-18)27(22,23)15-5-6-16(24-3)17(13-15)25-4/h5-6,13-14H,7-12H2,1-4H3
InChIKeyQIUHGSLHCYEMLQ-UHFFFAOYSA-N
XLogP1.39
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 56549461
1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-[methyl(3-methylbutyl)amino]ethanone
CID 55848243
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
4-(3,4-dimethoxyphenyl)sulfonyl-N-pentan-2-ylpiperazine-1-carboxamide
CID 46486070
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxypropane-1-sulfonic acid
CID 142762335
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552
1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethoxypropan-1-one
CID 55686589
disodium bis(3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxypropane-1-sulfonate)
CID 142762340

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine (CID 56549188) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine is COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCC(C)C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine?
The InChIKey is QIUHGSLHCYEMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6S2/c1-14(2)7-12-26(20,21)18-8-10-19(11-9-18)27(22,23)15-5-6-16(24-3)17(13-15)25-4/h5-6,13-14H,7-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine has a molecular weight of 420.55 g/mol, XLogP of 1.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine is sourced from PubChem (CID 56549188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).