N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine

C18H29N3O3S — CID 166910854

IUPACN-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine
SMILESCOc1ccc2c(CCN(C)S(=O)(=O)N(C)C)cn(CC(C)C)c2c1
InChIInChI=1S/C18H29N3O3S/c1-14(2)12-21-13-15(9-10-20(5)25(22,23)19(3)4)17-8-7-16(24-6)11-18(17)21/h7-8,11,13-14H,9-10,12H2,1-6H3
InChIKeyRGGCDXIFTPDFAT-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.59
Rot. Bonds8

About N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine

N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine (PubChem CID 166910854) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine
PubChem CID166910854
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine
SMILESCOc1ccc2c(CCN(C)S(=O)(=O)N(C)C)cn(CC(C)C)c2c1
InChIInChI=1S/C18H29N3O3S/c1-14(2)12-21-13-15(9-10-20(5)25(22,23)19(3)4)17-8-7-16(24-6)11-18(17)21/h7-8,11,13-14H,9-10,12H2,1-6H3
InChIKeyRGGCDXIFTPDFAT-UHFFFAOYSA-N
XLogP2.59
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911476
2-[6-(3-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911481
3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole
CID 166911189
N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide
CID 169304847
N-(dimethylaminosulfanyl)-2-[6-(3-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166912168
[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate
CID 168931152
6-tert-butyl-3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)indole
CID 166910693
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-propylindole
CID 166912114
ditert-butyl [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl phosphate
CID 168931246
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931011
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine?
The IUPAC name of N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine (CID 166910854) is N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine.
What is the SMILES notation for N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine?
The canonical SMILES for N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine is COc1ccc2c(CCN(C)S(=O)(=O)N(C)C)cn(CC(C)C)c2c1.
What is the InChIKey of N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine?
The InChIKey is RGGCDXIFTPDFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-14(2)12-21-13-15(9-10-20(5)25(22,23)19(3)4)17-8-7-16(24-6)11-18(17)21/h7-8,11,13-14H,9-10,12H2,1-6H3.
What are the key properties of N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine?
N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine has a molecular weight of 367.52 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine is sourced from PubChem (CID 166910854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).