N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine

C15H22N2O2S — CID 102914060

IUPACN-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(CCS(=O)(=O)CC)c12
InChIInChI=1S/C15H22N2O2S/c1-3-16-12-14-7-5-6-13-8-9-17(15(13)14)10-11-20(18,19)4-2/h5-9,16H,3-4,10-12H2,1-2H3
InChIKeyXFPFEYSTGRYMPI-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.19
Rot. Bonds7

About N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine

N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine (PubChem CID 102914060) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
PubChem CID102914060
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(CCS(=O)(=O)CC)c12
InChIInChI=1S/C15H22N2O2S/c1-3-16-12-14-7-5-6-13-8-9-17(15(13)14)10-11-20(18,19)4-2/h5-9,16H,3-4,10-12H2,1-2H3
InChIKeyXFPFEYSTGRYMPI-UHFFFAOYSA-N
XLogP2.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine
CID 102914430
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine
CID 102914153
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
N-ethyl-2-(7-ethylindol-1-yl)ethanamine
CID 62562665
N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
CID 106455380
N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
CID 102914354
3-[7-(ethylaminomethyl)indol-1-yl]-2,2-dimethylpropanoic acid
CID 102914180
N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine
CID 102914224
1-(2-tert-butylsulfonylethyl)-7-ethylindole
CID 106731619
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine (CID 102914060) is N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine is CCNCc1cccc2ccn(CCS(=O)(=O)CC)c12.
What is the InChIKey of N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine?
The InChIKey is XFPFEYSTGRYMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-16-12-14-7-5-6-13-8-9-17(15(13)14)10-11-20(18,19)4-2/h5-9,16H,3-4,10-12H2,1-2H3.
What are the key properties of N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine?
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine has a molecular weight of 294.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine is sourced from PubChem (CID 102914060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).