1-(2-ethylsulfonylethyl)-4-propoxyindole

C15H21NO3S — CID 83174266

IUPAC1-(2-ethylsulfonylethyl)-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2CCS(=O)(=O)CC
InChIInChI=1S/C15H21NO3S/c1-3-11-19-15-7-5-6-14-13(15)8-9-16(14)10-12-20(17,18)4-2/h5-9H,3-4,10-12H2,1-2H3
InChIKeyTZCYUHKUNHBIHM-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.86
Rot. Bonds7

About 1-(2-ethylsulfonylethyl)-4-propoxyindole

1-(2-ethylsulfonylethyl)-4-propoxyindole (PubChem CID 83174266) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-4-propoxyindole.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-4-propoxyindole
PubChem CID83174266
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(2-ethylsulfonylethyl)-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2CCS(=O)(=O)CC
InChIInChI=1S/C15H21NO3S/c1-3-11-19-15-7-5-6-14-13(15)8-9-16(14)10-12-20(17,18)4-2/h5-9H,3-4,10-12H2,1-2H3
InChIKeyTZCYUHKUNHBIHM-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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Related Compounds

1-(3-methylsulfonylpropyl)-4-propoxyindole
CID 83173638
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
3-(4-propoxyindol-1-yl)propanamide
CID 83173818
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
N-methyl-3-(4-propoxyindol-1-yl)propanamide
CID 83174183
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine
CID 83163124
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]butan-2-amine
CID 83164938
2-(4-propoxyindol-1-yl)acetohydrazide
CID 83163365
4-[(4-propoxyindol-1-yl)methyl]phenol
CID 83166122

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-4-propoxyindole?
The IUPAC name of 1-(2-ethylsulfonylethyl)-4-propoxyindole (CID 83174266) is 1-(2-ethylsulfonylethyl)-4-propoxyindole.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-4-propoxyindole?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-4-propoxyindole is CCCOc1cccc2c1ccn2CCS(=O)(=O)CC.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-4-propoxyindole?
The InChIKey is TZCYUHKUNHBIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-11-19-15-7-5-6-14-13(15)8-9-16(14)10-12-20(17,18)4-2/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-4-propoxyindole?
1-(2-ethylsulfonylethyl)-4-propoxyindole 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 1-(2-ethylsulfonylethyl)-4-propoxyindole is sourced from PubChem (CID 83174266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).