1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine

C15H24N2O3S — CID 701306

IUPAC1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1
InChIInChI=1S/C15H24N2O3S/c1-5-16-6-8-17(9-7-16)21(18,19)15-11-12(2)14(20-4)10-13(15)3/h10-11H,5-9H2,1-4H3
InChIKeyPLOJMANXGXYPHW-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.64
Rot. Bonds4

About 1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine

1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 701306) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
PubChem CID701306
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1
InChIInChI=1S/C15H24N2O3S/c1-5-16-6-8-17(9-7-16)21(18,19)15-11-12(2)14(20-4)10-13(15)3/h10-11H,5-9H2,1-4H3
InChIKeyPLOJMANXGXYPHW-UHFFFAOYSA-N
XLogP1.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine (CID 701306) is 1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine is CCN1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1.
What is the InChIKey of 1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is PLOJMANXGXYPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-16-6-8-17(9-7-16)21(18,19)15-11-12(2)14(20-4)10-13(15)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine?
1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine has a molecular weight of 312.44 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 701306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).