1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine

C14H22N2O3S — CID 120725829

IUPAC1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNC(C)C2C)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-9-13(5-6-14(10)19-4)20(17,18)16-8-7-15-11(2)12(16)3/h5-6,9,11-12,15H,7-8H2,1-4H3
InChIKeyNGRYJYJKKJQLGG-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.37
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine

1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine (PubChem CID 120725829) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
PubChem CID120725829
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNC(C)C2C)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-9-13(5-6-14(10)19-4)20(17,18)16-8-7-15-11(2)12(16)3/h5-6,9,11-12,15H,7-8H2,1-4H3
InChIKeyNGRYJYJKKJQLGG-UHFFFAOYSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725401
1-(3-methoxy-4-nitrophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725790
1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 4598462
4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 120876566
1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725545
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-2,3-dimethylpiperazine
CID 120725618
4-(4-methoxy-3-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420093
1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725803
1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725927
1-(3-bromo-4-nitrophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725624
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
1-(3-bromo-5-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725861

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine (CID 120725829) is 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine is COc1ccc(S(=O)(=O)N2CCNC(C)C2C)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine?
The InChIKey is NGRYJYJKKJQLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-9-13(5-6-14(10)19-4)20(17,18)16-8-7-15-11(2)12(16)3/h5-6,9,11-12,15H,7-8H2,1-4H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine?
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine is sourced from PubChem (CID 120725829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).