1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine

C15H24N2O3S — CID 64979833

IUPAC1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CC(C)NCC2C)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-10-6-14(20-5)7-11(2)15(10)21(18,19)17-9-12(3)16-8-13(17)4/h6-7,12-13,16H,8-9H2,1-5H3
InChIKeyYMHFNSARQITMEU-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.68
Rot. Bonds3

About 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine

1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine (PubChem CID 64979833) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine
PubChem CID64979833
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CC(C)NCC2C)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-10-6-14(20-5)7-11(2)15(10)21(18,19)17-9-12(3)16-8-13(17)4/h6-7,12-13,16H,8-9H2,1-5H3
InChIKeyYMHFNSARQITMEU-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine (CID 64979833) is 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine is COc1cc(C)c(S(=O)(=O)N2CC(C)NCC2C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine?
The InChIKey is YMHFNSARQITMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-6-14(20-5)7-11(2)15(10)21(18,19)17-9-12(3)16-8-13(17)4/h6-7,12-13,16H,8-9H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine?
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine has a molecular weight of 312.44 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64979833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).