1-(3-methylsulfonylpropyl)-5-propoxyindole

C15H21NO3S — CID 116625606

IUPAC1-(3-methylsulfonylpropyl)-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2CCCS(C)(=O)=O)c1
InChIInChI=1S/C15H21NO3S/c1-3-10-19-14-5-6-15-13(12-14)7-9-16(15)8-4-11-20(2,17)18/h5-7,9,12H,3-4,8,10-11H2,1-2H3
InChIKeyLNFOLLXBRRXIID-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.86
Rot. Bonds7

About 1-(3-methylsulfonylpropyl)-5-propoxyindole

1-(3-methylsulfonylpropyl)-5-propoxyindole (PubChem CID 116625606) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)-5-propoxyindole.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)-5-propoxyindole
PubChem CID116625606
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(3-methylsulfonylpropyl)-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2CCCS(C)(=O)=O)c1
InChIInChI=1S/C15H21NO3S/c1-3-10-19-14-5-6-15-13(12-14)7-9-16(15)8-4-11-20(2,17)18/h5-7,9,12H,3-4,8,10-11H2,1-2H3
InChIKeyLNFOLLXBRRXIID-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 1-(3-methylsulfonylpropyl)-5-propoxyindole?
The IUPAC name of 1-(3-methylsulfonylpropyl)-5-propoxyindole (CID 116625606) is 1-(3-methylsulfonylpropyl)-5-propoxyindole.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)-5-propoxyindole?
The canonical SMILES for 1-(3-methylsulfonylpropyl)-5-propoxyindole is CCCOc1ccc2c(ccn2CCCS(C)(=O)=O)c1.
What is the InChIKey of 1-(3-methylsulfonylpropyl)-5-propoxyindole?
The InChIKey is LNFOLLXBRRXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-10-19-14-5-6-15-13(12-14)7-9-16(15)8-4-11-20(2,17)18/h5-7,9,12H,3-4,8,10-11H2,1-2H3.
What are the key properties of 1-(3-methylsulfonylpropyl)-5-propoxyindole?
1-(3-methylsulfonylpropyl)-5-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)-5-propoxyindole is sourced from PubChem (CID 116625606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).