N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine

C19H24N4OS — CID 166910855

IUPACN-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine
SMILESCN(C)S(=O)N(C)CCc1cn(C)c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C19H24N4OS/c1-21(2)25(24)23(4)12-9-17-14-22(3)19-13-16(5-6-18(17)19)15-7-10-20-11-8-15/h5-8,10-11,13-14H,9,12H2,1-4H3
InChIKeyMWEAEGVZDVHYOJ-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.85
Rot. Bonds6

About N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine

N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine (PubChem CID 166910855) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine
PubChem CID166910855
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine
SMILESCN(C)S(=O)N(C)CCc1cn(C)c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C19H24N4OS/c1-21(2)25(24)23(4)12-9-17-14-22(3)19-13-16(5-6-18(17)19)15-7-10-20-11-8-15/h5-8,10-11,13-14H,9,12H2,1-4H3
InChIKeyMWEAEGVZDVHYOJ-UHFFFAOYSA-N
XLogP2.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine?
The IUPAC name of N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine (CID 166910855) is N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine.
What is the SMILES notation for N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine?
The canonical SMILES for N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine is CN(C)S(=O)N(C)CCc1cn(C)c2cc(-c3ccncc3)ccc12.
What is the InChIKey of N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine?
The InChIKey is MWEAEGVZDVHYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-21(2)25(24)23(4)12-9-17-14-22(3)19-13-16(5-6-18(17)19)15-7-10-20-11-8-15/h5-8,10-11,13-14H,9,12H2,1-4H3.
What are the key properties of N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine?
N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine has a molecular weight of 356.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethylsulfinamoyl-N-methyl-2-(1-methyl-6-pyridin-4-ylindol-3-yl)ethanamine is sourced from PubChem (CID 166910855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).