1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine

C14H22N2O3S — CID 801474

IUPAC1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C14H22N2O3S/c1-11-10-14(12(2)9-13(11)19-4)20(17,18)16-7-5-15(3)6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyCKUBMIHMUNSUCT-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.25
Rot. Bonds3

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

1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 801474) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine
PubChem CID801474
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C14H22N2O3S/c1-11-10-14(12(2)9-13(11)19-4)20(17,18)16-7-5-15(3)6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyCKUBMIHMUNSUCT-UHFFFAOYSA-N
XLogP1.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2,3,5-trimethyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 4914479
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
4-Methyl-1-[(4-propoxynaphthyl)sulfonyl]piperazine
CID 9267437
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
1-[1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627888
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-(4-Methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine
CID 846975
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044
4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1243945
(E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 6215456
1-Ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 972083

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine (CID 801474) is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine is COc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is CKUBMIHMUNSUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-10-14(12(2)9-13(11)19-4)20(17,18)16-7-5-15(3)6-8-16/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine?
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 801474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).