1-(2-tert-butylsulfonylethyl)-7-ethylindole

C16H23NO2S — CID 106731619

IUPAC1-(2-tert-butylsulfonylethyl)-7-ethylindole
SMILESCCc1cccc2ccn(CCS(=O)(=O)C(C)(C)C)c12
InChIInChI=1S/C16H23NO2S/c1-5-13-7-6-8-14-9-10-17(15(13)14)11-12-20(18,19)16(2,3)4/h6-10H,5,11-12H2,1-4H3
InChIKeyJMNQLRFGGALJJY-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-tert-butylsulfonylethyl)-7-ethylindole

1-(2-tert-butylsulfonylethyl)-7-ethylindole (PubChem CID 106731619) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-7-ethylindole.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-7-ethylindole
PubChem CID106731619
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name1-(2-tert-butylsulfonylethyl)-7-ethylindole
SMILESCCc1cccc2ccn(CCS(=O)(=O)C(C)(C)C)c12
InChIInChI=1S/C16H23NO2S/c1-5-13-7-6-8-14-9-10-17(15(13)14)11-12-20(18,19)16(2,3)4/h6-10H,5,11-12H2,1-4H3
InChIKeyJMNQLRFGGALJJY-UHFFFAOYSA-N
XLogP3.42
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060
N-ethyl-2-(7-ethylindol-1-yl)ethanamine
CID 62562665
7-ethyl-1-(2-propoxyethyl)indole
CID 106458036
7-ethyl-1-(3-methylsulfanylpropyl)indole
CID 116618726
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine
CID 102914430
7-ethyl-1-(2-piperidin-1-ylethyl)indole
CID 116618924
2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine
CID 106720962
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
7-ethyl-1-prop-2-ynylindole
CID 116618856
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
ethyl 3-(7-ethylindol-1-yl)propanoate
CID 43365480
3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
CID 116691880

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-7-ethylindole?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-7-ethylindole (CID 106731619) is 1-(2-tert-butylsulfonylethyl)-7-ethylindole.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-7-ethylindole?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-7-ethylindole is CCc1cccc2ccn(CCS(=O)(=O)C(C)(C)C)c12.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-7-ethylindole?
The InChIKey is JMNQLRFGGALJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-5-13-7-6-8-14-9-10-17(15(13)14)11-12-20(18,19)16(2,3)4/h6-10H,5,11-12H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-7-ethylindole?
1-(2-tert-butylsulfonylethyl)-7-ethylindole has a molecular weight of 293.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-7-ethylindole is sourced from PubChem (CID 106731619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).