4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione

C12H14N2O5S — CID 66085376

IUPAC4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H14N2O5S/c1-8-3-4-9(19-2)10(5-8)20(17,18)14-6-11(15)13-12(16)7-14/h3-5H,6-7H2,1-2H3,(H,13,15,16)
InChIKeyCHIFZNAUXKFQSL-UHFFFAOYSA-N
MW298.32 g/mol
LogP-0.35
Rot. Bonds3

About 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione

4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione (PubChem CID 66085376) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
PubChem CID66085376
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H14N2O5S/c1-8-3-4-9(19-2)10(5-8)20(17,18)14-6-11(15)13-12(16)7-14/h3-5H,6-7H2,1-2H3,(H,13,15,16)
InChIKeyCHIFZNAUXKFQSL-UHFFFAOYSA-N
XLogP-0.35
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
3,3-difluoro-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 167493621
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione
CID 55236738
3-ethylsulfonyl-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 121164660
2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 71789655
1-(2-methoxy-5-methylphenyl)sulfonyl-1,4-diazepane-2,5-dione
CID 151664784
1-(2-methoxy-5-methylphenyl)sulfonyl-5-methyl-1,4-diazepane
CID 82252101
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 5171173
9-(2-methoxy-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510529

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione (CID 66085376) is 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione is COc1ccc(C)cc1S(=O)(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione?
The InChIKey is CHIFZNAUXKFQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-8-3-4-9(19-2)10(5-8)20(17,18)14-6-11(15)13-12(16)7-14/h3-5H,6-7H2,1-2H3,(H,13,15,16).
What are the key properties of 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione?
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione has a molecular weight of 298.32 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione is sourced from PubChem (CID 66085376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).