2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

C18H18N2O4S2 — CID 24737527

IUPAC2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCn3c(cc4ccccc43)C2)c1
InChIInChI=1S/C18H18N2O4S2/c1-25(21,22)16-6-4-7-17(12-16)26(23,24)19-9-10-20-15(13-19)11-14-5-2-3-8-18(14)20/h2-8,11-12H,9-10,13H2,1H3
InChIKeyBIKWZRVKGTZEFR-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.25
Rot. Bonds3

About 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 24737527) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID24737527
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Name2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCn3c(cc4ccccc43)C2)c1
InChIInChI=1S/C18H18N2O4S2/c1-25(21,22)16-6-4-7-17(12-16)26(23,24)19-9-10-20-15(13-19)11-14-5-2-3-8-18(14)20/h2-8,11-12H,9-10,13H2,1H3
InChIKeyBIKWZRVKGTZEFR-UHFFFAOYSA-N
XLogP2.25
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-ylsulfonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 110646978
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
2-(4-phenoxyphenyl)sulfonyl-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole
CID 24737586
2-(3-phenylpropylsulfonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 110646997
8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 24737547
1-methyl-4-[4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-yl]sulfonylpiperazine
CID 55621350
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568
1-(4-methoxyphenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 55559198
1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 2995650
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 20866198
(2R,3R)-2-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105350

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 24737527) is 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is CS(=O)(=O)c1cccc(S(=O)(=O)N2CCn3c(cc4ccccc43)C2)c1.
What is the InChIKey of 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is BIKWZRVKGTZEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-25(21,22)16-6-4-7-17(12-16)26(23,24)19-9-10-20-15(13-19)11-14-5-2-3-8-18(14)20/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 390.49 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 24737527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).