4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one

C14H20N2O4S — CID 110708150

IUPAC4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C
InChIInChI=1S/C14H20N2O4S/c1-10-8-13(11(2)7-12(10)20-4)21(18,19)16-6-5-15(3)14(17)9-16/h7-8H,5-6,9H2,1-4H3
InChIKeySDDOAVWBIBSPJB-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.77
Rot. Bonds3

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

4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one (PubChem CID 110708150) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
PubChem CID110708150
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C
InChIInChI=1S/C14H20N2O4S/c1-10-8-13(11(2)7-12(10)20-4)21(18,19)16-6-5-15(3)14(17)9-16/h7-8H,5-6,9H2,1-4H3
InChIKeySDDOAVWBIBSPJB-UHFFFAOYSA-N
XLogP0.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708141
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343397
1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one
CID 110708137
1-ethyl-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazine
CID 6464192
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 110418562
1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 113081312
cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818749
2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419120

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one (CID 110708150) is 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one is COc1cc(C)c(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C.
What is the InChIKey of 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one?
The InChIKey is SDDOAVWBIBSPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-8-13(11(2)7-12(10)20-4)21(18,19)16-6-5-15(3)14(17)9-16/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one?
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one has a molecular weight of 312.39 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one is sourced from PubChem (CID 110708150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).