1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine

C16H26N2O3S — CID 934666

IUPAC1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C16H26N2O3S/c1-16(2,3)13-6-7-14(21-5)15(12-13)22(19,20)18-10-8-17(4)9-11-18/h6-7,12H,8-11H2,1-5H3
InChIKeyLOLYAWJJLWNGPU-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.93
Rot. Bonds3

About 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine

1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine (PubChem CID 934666) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine
PubChem CID934666
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C16H26N2O3S/c1-16(2,3)13-6-7-14(21-5)15(12-13)22(19,20)18-10-8-17(4)9-11-18/h6-7,12H,8-11H2,1-5H3
InChIKeyLOLYAWJJLWNGPU-UHFFFAOYSA-N
XLogP1.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-Methoxy-2-naphthyl)sulfonyl]-4-methylpiperazine
CID 775829
1-Benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 2293923
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
1,4-Bis[(2-methoxy-5-methylphenyl)sulfonyl]-2-methylpiperazine
CID 2897110
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)-4-methylpiperazine
CID 650490
1-Benzyl-4-(2-methoxy-5-methyl-benzenesulfonyl)-piperazine
CID 654169
4-(2-Ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine
CID 850074
2-Methoxy-5,N-dimethyl-N-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-benzenesulfonamide
CID 1095811
4-[(5-Tert-butyl-2-ethoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2968838
1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 8777959
2-methoxy-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 747985

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine (CID 934666) is 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine is COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is LOLYAWJJLWNGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-16(2,3)13-6-7-14(21-5)15(12-13)22(19,20)18-10-8-17(4)9-11-18/h6-7,12H,8-11H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine?
1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 326.46 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 934666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).