1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole

C24H26N4OS — CID 166911686

IUPAC1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole
SMILESCN(C)S(=O)NCCc1cn(Cc2ccccc2)c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C24H26N4OS/c1-27(2)30(29)26-15-12-22-18-28(17-19-6-4-3-5-7-19)24-16-21(8-9-23(22)24)20-10-13-25-14-11-20/h3-11,13-14,16,18,26H,12,15,17H2,1-2H3
InChIKeyDBXGPOYKHKKLAI-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.02
Rot. Bonds8

About 1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole

1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole (PubChem CID 166911686) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is 1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole.

Molecular Properties

Compound Name1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole
PubChem CID166911686
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole
SMILESCN(C)S(=O)NCCc1cn(Cc2ccccc2)c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C24H26N4OS/c1-27(2)30(29)26-15-12-22-18-28(17-19-6-4-3-5-7-19)24-16-21(8-9-23(22)24)20-10-13-25-14-11-20/h3-11,13-14,16,18,26H,12,15,17H2,1-2H3
InChIKeyDBXGPOYKHKKLAI-UHFFFAOYSA-N
XLogP4.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2,4-difluorophenyl)methyl]-6-pyridin-4-ylindol-3-yl]-N-(dimethylaminosulfanyl)ethanamine
CID 166911390
4-[3-[2-(dimethylsulfinamoylamino)ethyl]-1-(2-methylpropyl)indol-6-yl]-1,2-oxazole
CID 166911894
3-[2-(dimethylsulfamoylamino)ethyl]-1-propyl-6-pyridin-4-ylindole
CID 169304906
N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine
CID 166910855
2-(1-cyclopropyl-6-pyridin-4-ylindol-3-yl)-N-(dimethylaminosulfanyl)ethanamine
CID 166910876
2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine
CID 166911834
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-iodophenyl)-6-pyridin-4-ylindole
CID 169304810
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
CID 10157671
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine
CID 101017415
N-(dimethylaminosulfanyl)-2-[6-(4-methylphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166910851

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole?
The IUPAC name of 1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole (CID 166911686) is 1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole.
What is the SMILES notation for 1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole?
The canonical SMILES for 1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole is CN(C)S(=O)NCCc1cn(Cc2ccccc2)c2cc(-c3ccncc3)ccc12.
What is the InChIKey of 1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole?
The InChIKey is DBXGPOYKHKKLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-27(2)30(29)26-15-12-22-18-28(17-19-6-4-3-5-7-19)24-16-21(8-9-23(22)24)20-10-13-25-14-11-20/h3-11,13-14,16,18,26H,12,15,17H2,1-2H3.
What are the key properties of 1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole?
1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole has a molecular weight of 418.57 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(dimethylsulfinamoylamino)ethyl]-6-pyridin-4-ylindole is sourced from PubChem (CID 166911686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).