1-(3-ethylsulfonylpropyl)-5-methoxyindole

C14H19NO3S — CID 116619453

IUPAC1-(3-ethylsulfonylpropyl)-5-methoxyindole
SMILESCCS(=O)(=O)CCCn1ccc2cc(OC)ccc21
InChIInChI=1S/C14H19NO3S/c1-3-19(16,17)10-4-8-15-9-7-12-11-13(18-2)5-6-14(12)15/h5-7,9,11H,3-4,8,10H2,1-2H3
InChIKeyKBHYLFWHRZAYEK-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.47
Rot. Bonds6

About 1-(3-ethylsulfonylpropyl)-5-methoxyindole

1-(3-ethylsulfonylpropyl)-5-methoxyindole (PubChem CID 116619453) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-5-methoxyindole.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-5-methoxyindole
PubChem CID116619453
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(3-ethylsulfonylpropyl)-5-methoxyindole
SMILESCCS(=O)(=O)CCCn1ccc2cc(OC)ccc21
InChIInChI=1S/C14H19NO3S/c1-3-19(16,17)10-4-8-15-9-7-12-11-13(18-2)5-6-14(12)15/h5-7,9,11H,3-4,8,10H2,1-2H3
InChIKeyKBHYLFWHRZAYEK-UHFFFAOYSA-N
XLogP2.47
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethylsulfonylpropyl)-5-methoxyindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
5-chloro-1-(3-ethylsulfonylpropyl)indole
CID 116623147
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
1-(3-ethylsulfonylpropyl)indole
CID 65097244
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
1-(5-iodopentyl)-5-methoxyindole
CID 141021512
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
1-[4-(4-chlorophenoxy)butyl]-5-methoxyindole
CID 110831449
N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
CID 62564592

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-5-methoxyindole?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-5-methoxyindole (CID 116619453) is 1-(3-ethylsulfonylpropyl)-5-methoxyindole.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-5-methoxyindole?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-5-methoxyindole is CCS(=O)(=O)CCCn1ccc2cc(OC)ccc21.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-5-methoxyindole?
The InChIKey is KBHYLFWHRZAYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-19(16,17)10-4-8-15-9-7-12-11-13(18-2)5-6-14(12)15/h5-7,9,11H,3-4,8,10H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-5-methoxyindole?
1-(3-ethylsulfonylpropyl)-5-methoxyindole has a molecular weight of 281.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-5-methoxyindole is sourced from PubChem (CID 116619453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).