1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine

C12H18N2O3S — CID 676048

IUPAC1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C12H18N2O3S/c1-13-7-9-14(10-8-13)18(15,16)12-5-3-11(17-2)4-6-12/h3-6H,7-10H2,1-2H3
InChIKeyWLKJUMSIGXLLAS-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.63
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine

1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine (PubChem CID 676048) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine
PubChem CID676048
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C12H18N2O3S/c1-13-7-9-14(10-8-13)18(15,16)12-5-3-11(17-2)4-6-12/h3-6H,7-10H2,1-2H3
InChIKeyWLKJUMSIGXLLAS-UHFFFAOYSA-N
XLogP0.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine (CID 676048) is 1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine is COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is WLKJUMSIGXLLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-13-7-9-14(10-8-13)18(15,16)12-5-3-11(17-2)4-6-12/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine?
1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 270.35 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 676048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).