2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C15H19N3O6S — CID 50949239

IUPAC2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCOc1ccc(S(=O)(=O)N2CCN3C(=O)CNC(=O)C3C2)cc1OC
InChIInChI=1S/C15H19N3O6S/c1-23-12-4-3-10(7-13(12)24-2)25(21,22)17-5-6-18-11(9-17)15(20)16-8-14(18)19/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,20)
InChIKeyMJKPWSFYBHOJDE-UHFFFAOYSA-N
MW369.40 g/mol
LogP-0.96
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 50949239) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID50949239
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCOc1ccc(S(=O)(=O)N2CCN3C(=O)CNC(=O)C3C2)cc1OC
InChIInChI=1S/C15H19N3O6S/c1-23-12-4-3-10(7-13(12)24-2)25(21,22)17-5-6-18-11(9-17)15(20)16-8-14(18)19/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,20)
InChIKeyMJKPWSFYBHOJDE-UHFFFAOYSA-N
XLogP-0.96
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160541
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
1-(3,4-dimethoxyphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584724
(3aS,6aR)-5-(3,4-dimethoxyphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665492
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031833
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 50949239) is 2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is COc1ccc(S(=O)(=O)N2CCN3C(=O)CNC(=O)C3C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is MJKPWSFYBHOJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-23-12-4-3-10(7-13(12)24-2)25(21,22)17-5-6-18-11(9-17)15(20)16-8-14(18)19/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,20).
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 369.40 g/mol, XLogP of -0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 50949239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).