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

C17H28N2O4S — CID 51260705

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCC(C)C)CC2)cc1OC
InChIInChI=1S/C17H28N2O4S/c1-14(2)7-8-18-9-11-19(12-10-18)24(20,21)15-5-6-16(22-3)17(13-15)23-4/h5-6,13-14H,7-12H2,1-4H3
InChIKeyYLLMAYSZDKFKHU-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.06
Rot. Bonds7

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

1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine (PubChem CID 51260705) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
PubChem CID51260705
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCC(C)C)CC2)cc1OC
InChIInChI=1S/C17H28N2O4S/c1-14(2)7-8-18-9-11-19(12-10-18)24(20,21)15-5-6-16(22-3)17(13-15)23-4/h5-6,13-14H,7-12H2,1-4H3
InChIKeyYLLMAYSZDKFKHU-UHFFFAOYSA-N
XLogP2.06
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine
CID 56549188
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
CID 113073624
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 56521180
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561393
1-(4-chloro-3-methylphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075058
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxypropane-1-sulfonic acid
CID 142762335
1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-[methyl(3-methylbutyl)amino]ethanone
CID 55848243
1-(3-methylbutyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113075040
1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17468522

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine (CID 51260705) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine is COc1ccc(S(=O)(=O)N2CCN(CCC(C)C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine?
The InChIKey is YLLMAYSZDKFKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-14(2)7-8-18-9-11-19(12-10-18)24(20,21)15-5-6-16(22-3)17(13-15)23-4/h5-6,13-14H,7-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine has a molecular weight of 356.49 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine is sourced from PubChem (CID 51260705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).