5-(2-ethylsulfanylethoxy)-1H-indole

C12H15NOS — CID 115967778

IUPAC5-(2-ethylsulfanylethoxy)-1H-indole
SMILESCCSCCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H15NOS/c1-2-15-8-7-14-11-3-4-12-10(9-11)5-6-13-12/h3-6,9,13H,2,7-8H2,1H3
InChIKeyOCUAVZQOYXZWAD-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.30
Rot. Bonds5

About 5-(2-ethylsulfanylethoxy)-1H-indole

5-(2-ethylsulfanylethoxy)-1H-indole (PubChem CID 115967778) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 5-(2-ethylsulfanylethoxy)-1H-indole.

Molecular Properties

Compound Name5-(2-ethylsulfanylethoxy)-1H-indole
PubChem CID115967778
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name5-(2-ethylsulfanylethoxy)-1H-indole
SMILESCCSCCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H15NOS/c1-2-15-8-7-14-11-3-4-12-10(9-11)5-6-13-12/h3-6,9,13H,2,7-8H2,1H3
InChIKeyOCUAVZQOYXZWAD-UHFFFAOYSA-N
XLogP3.30
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-heptoxy-1H-indole
CID 80642434
2-(1H-indol-5-yloxy)ethanamine
CID 84655544
3-(1H-indol-5-yloxy)propan-1-amine
CID 84662713
5-[2-(4-bromophenoxy)ethoxy]-1H-indole
CID 80640825
5-pent-4-ynoxy-1H-indole
CID 112548784
5-[4-(2-methoxyethoxy)phenyl]-1H-indole
CID 66820304
5-(2-pyridin-4-ylethoxy)-1H-indole
CID 80643578
4-(1H-indol-5-yloxymethyl)phenol
CID 80641928
5-(2-methylprop-2-enoxy)-1H-indole
CID 80641089
5-methylsulfanyloxy-1H-indole
CID 139836435
5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole
CID 80640824
5-[(2-butoxyphenyl)methoxy]-1H-indole
CID 67917034

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfanylethoxy)-1H-indole?
The IUPAC name of 5-(2-ethylsulfanylethoxy)-1H-indole (CID 115967778) is 5-(2-ethylsulfanylethoxy)-1H-indole.
What is the SMILES notation for 5-(2-ethylsulfanylethoxy)-1H-indole?
The canonical SMILES for 5-(2-ethylsulfanylethoxy)-1H-indole is CCSCCOc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(2-ethylsulfanylethoxy)-1H-indole?
The InChIKey is OCUAVZQOYXZWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-2-15-8-7-14-11-3-4-12-10(9-11)5-6-13-12/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of 5-(2-ethylsulfanylethoxy)-1H-indole?
5-(2-ethylsulfanylethoxy)-1H-indole has a molecular weight of 221.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfanylethoxy)-1H-indole is sourced from PubChem (CID 115967778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).