5-ethoxy-1-(3-ethylsulfonylpropyl)indole

C15H21NO3S — CID 116623921

IUPAC5-ethoxy-1-(3-ethylsulfonylpropyl)indole
SMILESCCOc1ccc2c(ccn2CCCS(=O)(=O)CC)c1
InChIInChI=1S/C15H21NO3S/c1-3-19-14-6-7-15-13(12-14)8-10-16(15)9-5-11-20(17,18)4-2/h6-8,10,12H,3-5,9,11H2,1-2H3
InChIKeyXFVUFLLNFGLMGY-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.86
Rot. Bonds7

About 5-ethoxy-1-(3-ethylsulfonylpropyl)indole

5-ethoxy-1-(3-ethylsulfonylpropyl)indole (PubChem CID 116623921) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 5-ethoxy-1-(3-ethylsulfonylpropyl)indole.

Molecular Properties

Compound Name5-ethoxy-1-(3-ethylsulfonylpropyl)indole
PubChem CID116623921
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name5-ethoxy-1-(3-ethylsulfonylpropyl)indole
SMILESCCOc1ccc2c(ccn2CCCS(=O)(=O)CC)c1
InChIInChI=1S/C15H21NO3S/c1-3-19-14-6-7-15-13(12-14)8-10-16(15)9-5-11-20(17,18)4-2/h6-8,10,12H,3-5,9,11H2,1-2H3
InChIKeyXFVUFLLNFGLMGY-UHFFFAOYSA-N
XLogP2.86
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(3-ethylsulfonylpropyl)indole?
The IUPAC name of 5-ethoxy-1-(3-ethylsulfonylpropyl)indole (CID 116623921) is 5-ethoxy-1-(3-ethylsulfonylpropyl)indole.
What is the SMILES notation for 5-ethoxy-1-(3-ethylsulfonylpropyl)indole?
The canonical SMILES for 5-ethoxy-1-(3-ethylsulfonylpropyl)indole is CCOc1ccc2c(ccn2CCCS(=O)(=O)CC)c1.
What is the InChIKey of 5-ethoxy-1-(3-ethylsulfonylpropyl)indole?
The InChIKey is XFVUFLLNFGLMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-19-14-6-7-15-13(12-14)8-10-16(15)9-5-11-20(17,18)4-2/h6-8,10,12H,3-5,9,11H2,1-2H3.
What are the key properties of 5-ethoxy-1-(3-ethylsulfonylpropyl)indole?
5-ethoxy-1-(3-ethylsulfonylpropyl)indole has a molecular weight of 295.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(3-ethylsulfonylpropyl)indole is sourced from PubChem (CID 116623921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).