2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine

C19H22N2O2S — CID 134382314

IUPAC2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-20(2)12-11-15-14-21(24(22)17-7-5-4-6-8-17)19-10-9-16(23-3)13-18(15)19/h4-10,13-14H,11-12H2,1-3H3
InChIKeyJOAXTAXEMSCXAL-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.32
Rot. Bonds6

About 2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine

2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine (PubChem CID 134382314) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
PubChem CID134382314
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-20(2)12-11-15-14-21(24(22)17-7-5-4-6-8-17)19-10-9-16(23-3)13-18(15)19/h4-10,13-14H,11-12H2,1-3H3
InChIKeyJOAXTAXEMSCXAL-UHFFFAOYSA-N
XLogP3.32
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
CID 3028951
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258551
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone;formic acid
CID 175913972
3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane
CID 166467671
2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene
CID 166467472
2-amino-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-3-methylbutan-1-one
CID 166467388
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride
CID 156572550
(2S)-2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methyl-3-phenylpropanamide;dihydrochloride
CID 175913974
2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
[1-(dimethylamino)-2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl] formate
CID 166467618

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine (CID 134382314) is 2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine is COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)c1ccccc1.
What is the InChIKey of 2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine?
The InChIKey is JOAXTAXEMSCXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-20(2)12-11-15-14-21(24(22)17-7-5-4-6-8-17)19-10-9-16(23-3)13-18(15)19/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine?
2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine has a molecular weight of 342.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 134382314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).