1-(3-methylsulfonylpropyl)-4-propoxyindole

C15H21NO3S — CID 83173638

IUPAC1-(3-methylsulfonylpropyl)-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2CCCS(C)(=O)=O
InChIInChI=1S/C15H21NO3S/c1-3-11-19-15-7-4-6-14-13(15)8-10-16(14)9-5-12-20(2,17)18/h4,6-8,10H,3,5,9,11-12H2,1-2H3
InChIKeyWXCWRTPUVJEKNB-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.86
Rot. Bonds7

About 1-(3-methylsulfonylpropyl)-4-propoxyindole

1-(3-methylsulfonylpropyl)-4-propoxyindole (PubChem CID 83173638) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)-4-propoxyindole.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)-4-propoxyindole
PubChem CID83173638
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(3-methylsulfonylpropyl)-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2CCCS(C)(=O)=O
InChIInChI=1S/C15H21NO3S/c1-3-11-19-15-7-4-6-14-13(15)8-10-16(14)9-5-12-20(2,17)18/h4,6-8,10H,3,5,9,11-12H2,1-2H3
InChIKeyWXCWRTPUVJEKNB-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-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
3-(4-propoxyindol-1-yl)propanamide
CID 83173818
N-methyl-3-(4-propoxyindol-1-yl)propanamide
CID 83174183
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)-4-propoxyindole?
The IUPAC name of 1-(3-methylsulfonylpropyl)-4-propoxyindole (CID 83173638) is 1-(3-methylsulfonylpropyl)-4-propoxyindole.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)-4-propoxyindole?
The canonical SMILES for 1-(3-methylsulfonylpropyl)-4-propoxyindole is CCCOc1cccc2c1ccn2CCCS(C)(=O)=O.
What is the InChIKey of 1-(3-methylsulfonylpropyl)-4-propoxyindole?
The InChIKey is WXCWRTPUVJEKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-11-19-15-7-4-6-14-13(15)8-10-16(14)9-5-12-20(2,17)18/h4,6-8,10H,3,5,9,11-12H2,1-2H3.
What are the key properties of 1-(3-methylsulfonylpropyl)-4-propoxyindole?
1-(3-methylsulfonylpropyl)-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-(3-methylsulfonylpropyl)-4-propoxyindole is sourced from PubChem (CID 83173638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).