1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine

C13H20N2O3S — CID 847009

IUPAC1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C13H20N2O3S/c1-11-10-12(4-5-13(11)18-3)19(16,17)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyUWAAPSLFKVWKBR-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.94
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine

1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 847009) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine
PubChem CID847009
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C13H20N2O3S/c1-11-10-12(4-5-13(11)18-3)19(16,17)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyUWAAPSLFKVWKBR-UHFFFAOYSA-N
XLogP0.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine (CID 847009) is 1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine is COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is UWAAPSLFKVWKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11-10-12(4-5-13(11)18-3)19(16,17)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine?
1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 284.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 847009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).