1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine

C22H26N4O2S — CID 12575718

IUPAC1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2ccc(S(=O)(=O)c3ccc4[nH]cc(CN(C)C)c4c3)cc12
InChIInChI=1S/C22H26N4O2S/c1-25(2)13-15-11-23-21-7-5-17(9-19(15)21)29(27,28)18-6-8-22-20(10-18)16(12-24-22)14-26(3)4/h5-12,23-24H,13-14H2,1-4H3
InChIKeyYUSSXNBEHDJHEK-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.61
Rot. Bonds6

About 1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine

1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine (PubChem CID 12575718) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine
PubChem CID12575718
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2ccc(S(=O)(=O)c3ccc4[nH]cc(CN(C)C)c4c3)cc12
InChIInChI=1S/C22H26N4O2S/c1-25(2)13-15-11-23-21-7-5-17(9-19(15)21)29(27,28)18-6-8-22-20(10-18)16(12-24-22)14-26(3)4/h5-12,23-24H,13-14H2,1-4H3
InChIKeyYUSSXNBEHDJHEK-UHFFFAOYSA-N
XLogP3.61
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
CID 18882
[5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol
CID 174688128
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile
CID 170886401
N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine
CID 123270378
N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen
CID 177026314
3-(5-methylsulfonyl-1H-indol-3-yl)propanoic acid
CID 83984871
tert-butyl N-[2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethyl]carbamate
CID 10135626
ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984817
1-(5-ethylsulfonyl-1H-indol-3-yl)-3-methylbutan-2-amine
CID 83984848
3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
CID 19844112
[5-(benzenesulfonyl)-1H-indol-3-yl] formate
CID 174464027

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine (CID 12575718) is 1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1c[nH]c2ccc(S(=O)(=O)c3ccc4[nH]cc(CN(C)C)c4c3)cc12.
What is the InChIKey of 1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is YUSSXNBEHDJHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-25(2)13-15-11-23-21-7-5-17(9-19(15)21)29(27,28)18-6-8-22-20(10-18)16(12-24-22)14-26(3)4/h5-12,23-24H,13-14H2,1-4H3.
What are the key properties of 1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine?
1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 410.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 12575718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).