1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine

C17H28N2O3S — CID 934731

IUPAC1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C17H28N2O3S/c1-6-22-16-11-14(4)15(13(2)3)12-17(16)23(20,21)19-9-7-18(5)8-10-19/h11-13H,6-10H2,1-5H3
InChIKeyBUNKYNWXSINAHP-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.45
Rot. Bonds5

About 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine

1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 934731) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine
PubChem CID934731
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C17H28N2O3S/c1-6-22-16-11-14(4)15(13(2)3)12-17(16)23(20,21)19-9-7-18(5)8-10-19/h11-13H,6-10H2,1-5H3
InChIKeyBUNKYNWXSINAHP-UHFFFAOYSA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine (CID 934731) is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is BUNKYNWXSINAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-6-22-16-11-14(4)15(13(2)3)12-17(16)23(20,21)19-9-7-18(5)8-10-19/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 340.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 934731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).