1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile

C15H19NO2S — CID 65408044

IUPAC1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile
SMILESCCS(=O)(=O)CCCC1(C#N)CCc2ccccc21
InChIInChI=1S/C15H19NO2S/c1-2-19(17,18)11-5-9-15(12-16)10-8-13-6-3-4-7-14(13)15/h3-4,6-7H,2,5,8-11H2,1H3
InChIKeyLFRVEXWZTMTIFT-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.61
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile

1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile (PubChem CID 65408044) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile
PubChem CID65408044
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile
SMILESCCS(=O)(=O)CCCC1(C#N)CCc2ccccc21
InChIInChI=1S/C15H19NO2S/c1-2-19(17,18)11-5-9-15(12-16)10-8-13-6-3-4-7-14(13)15/h3-4,6-7H,2,5,8-11H2,1H3
InChIKeyLFRVEXWZTMTIFT-UHFFFAOYSA-N
XLogP2.61
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile (CID 65408044) is 1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile is CCS(=O)(=O)CCCC1(C#N)CCc2ccccc21.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile?
The InChIKey is LFRVEXWZTMTIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-2-19(17,18)11-5-9-15(12-16)10-8-13-6-3-4-7-14(13)15/h3-4,6-7H,2,5,8-11H2,1H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile?
1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile has a molecular weight of 277.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 65408044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).