2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole

C18H20N2O3S — CID 110710854

IUPAC2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole
SMILESCOc1ccc(S(=O)(=O)N2CCN3c4ccccc4CC3C2)cc1
InChIInChI=1S/C18H20N2O3S/c1-23-16-6-8-17(9-7-16)24(21,22)19-10-11-20-15(13-19)12-14-4-2-3-5-18(14)20/h2-9,15H,10-13H2,1H3
InChIKeyWIHCNZVWSBKBAK-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.13
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole

2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole (PubChem CID 110710854) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole
PubChem CID110710854
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole
SMILESCOc1ccc(S(=O)(=O)N2CCN3c4ccccc4CC3C2)cc1
InChIInChI=1S/C18H20N2O3S/c1-23-16-6-8-17(9-7-16)24(21,22)19-10-11-20-15(13-19)12-14-4-2-3-5-18(14)20/h2-9,15H,10-13H2,1H3
InChIKeyWIHCNZVWSBKBAK-UHFFFAOYSA-N
XLogP2.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole 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

1-cyclopropyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715218
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 16831405
4-(4-iodophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine
CID 5167462
2,3-dihydro-1-benzothiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 55486793
(11bR)-2-(4-methoxyphenyl)sulfonyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 51709753
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline
CID 86099382
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809
[(2R)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-2-yl] carbamate
CID 22941889
7-(benzenesulfonyl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 162792955

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole (CID 110710854) is 2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole is COc1ccc(S(=O)(=O)N2CCN3c4ccccc4CC3C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole?
The InChIKey is WIHCNZVWSBKBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-16-6-8-17(9-7-16)24(21,22)19-10-11-20-15(13-19)12-14-4-2-3-5-18(14)20/h2-9,15H,10-13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole?
2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole has a molecular weight of 344.44 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 110710854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).