4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one

C13H18N2O4S — CID 110708141

IUPAC4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C
InChIInChI=1S/C13H18N2O4S/c1-10-8-11(4-5-12(10)19-3)20(17,18)15-7-6-14(2)13(16)9-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyVQNGHVIGCFAHIM-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.47
Rot. Bonds3

About 4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one

4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one (PubChem CID 110708141) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
PubChem CID110708141
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C
InChIInChI=1S/C13H18N2O4S/c1-10-8-11(4-5-12(10)19-3)20(17,18)15-7-6-14(2)13(16)9-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyVQNGHVIGCFAHIM-UHFFFAOYSA-N
XLogP0.47
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708150
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506
2-methyl-4-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzonitrile
CID 106833379
1-tert-butyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 113074863
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium
CID 6957248
3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740054
4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708129
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 4598462
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one (CID 110708141) is 4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one is COc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one?
The InChIKey is VQNGHVIGCFAHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-8-11(4-5-12(10)19-3)20(17,18)15-7-6-14(2)13(16)9-15/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one?
4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one has a molecular weight of 298.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one is sourced from PubChem (CID 110708141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).