1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine

C14H22N2O3S — CID 110707842

IUPAC1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2C)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-11-9-13(19-4)5-6-14(11)20(17,18)16-8-7-15(3)10-12(16)2/h5-6,9,12H,7-8,10H2,1-4H3
InChIKeyZNDANTFSICGSKO-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.33
Rot. Bonds3

About 1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine

1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine (PubChem CID 110707842) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine
PubChem CID110707842
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2C)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-11-9-13(19-4)5-6-14(11)20(17,18)16-8-7-15(3)10-12(16)2/h5-6,9,12H,7-8,10H2,1-4H3
InChIKeyZNDANTFSICGSKO-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one
CID 110708313
1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110290267
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658354
2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
CID 110644079
4-(4-methoxy-2-methylphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 110314590
[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285952
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
(1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124688177
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine (CID 110707842) is 1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine is COc1ccc(S(=O)(=O)N2CCN(C)CC2C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine?
The InChIKey is ZNDANTFSICGSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-9-13(19-4)5-6-14(11)20(17,18)16-8-7-15(3)10-12(16)2/h5-6,9,12H,7-8,10H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine?
1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 1.33, 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-methylphenyl)sulfonyl-2,4-dimethylpiperazine is sourced from PubChem (CID 110707842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).