1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole

C12H17NO2S — CID 106731755

IUPAC1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole
SMILESCCS(=O)(=O)CCC1NCc2ccccc21
InChIInChI=1S/C12H17NO2S/c1-2-16(14,15)8-7-12-11-6-4-3-5-10(11)9-13-12/h3-6,12-13H,2,7-9H2,1H3
InChIKeyIDQFRVUEUVTQKR-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.66
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole

1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole (PubChem CID 106731755) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole
PubChem CID106731755
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole
SMILESCCS(=O)(=O)CCC1NCc2ccccc21
InChIInChI=1S/C12H17NO2S/c1-2-16(14,15)8-7-12-11-6-4-3-5-10(11)9-13-12/h3-6,12-13H,2,7-9H2,1H3
InChIKeyIDQFRVUEUVTQKR-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-ylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731753
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
CID 129390481
2-(2,3-dihydro-1H-isoindol-1-yl)ethanamine
CID 86111569
1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
CID 106458136
1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole
CID 82924962
2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
CID 89299506
1-(nitromethyl)-2,3-dihydro-1H-isoindole
CID 57309014
1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole
CID 65447093
1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole
CID 65042106
1-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole
CID 115105193
1-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-isoindole
CID 116627042
methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate
CID 86336587

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole (CID 106731755) is 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole is CCS(=O)(=O)CCC1NCc2ccccc21.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole?
The InChIKey is IDQFRVUEUVTQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-16(14,15)8-7-12-11-6-4-3-5-10(11)9-13-12/h3-6,12-13H,2,7-9H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole?
1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole has a molecular weight of 239.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 106731755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).