2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol

C14H19NO2S2 — CID 43771514

IUPAC2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
SMILESOCCOCCNC(Cc1cccs1)c1cccs1
InChIInChI=1S/C14H19NO2S2/c16-6-8-17-7-5-15-13(14-4-2-10-19-14)11-12-3-1-9-18-12/h1-4,9-10,13,15-16H,5-8,11H2
InChIKeyQSDGKLHTPHHOSZ-UHFFFAOYSA-N
MW297.45 g/mol
LogP2.69
Rot. Bonds9

About 2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol

2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol (PubChem CID 43771514) has the molecular formula C14H19NO2S2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
PubChem CID43771514
Molecular FormulaC14H19NO2S2
Molecular Weight297.45 g/mol
Exact Mass297.09
IUPAC Name2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
SMILESOCCOCCNC(Cc1cccs1)c1cccs1
InChIInChI=1S/C14H19NO2S2/c16-6-8-17-7-5-15-13(14-4-2-10-19-14)11-12-3-1-9-18-12/h1-4,9-10,13,15-16H,5-8,11H2
InChIKeyQSDGKLHTPHHOSZ-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
CID 28727459
2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol
CID 111439573
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide
CID 79378036
1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol
CID 115719311
1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol
CID 65105159
3-(1,2-dithiophen-2-ylethylamino)-4-methylpentan-1-ol
CID 103786463
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884
N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine
CID 115724259
N-[(4-bromophenyl)methyl]-1,2-dithiophen-2-ylethanamine
CID 60781438
(2S)-2-(1,2-dithiophen-2-ylethylamino)-3-methylbutan-1-ol
CID 79254175

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol (CID 43771514) is 2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol is OCCOCCNC(Cc1cccs1)c1cccs1.
What is the InChIKey of 2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol?
The InChIKey is QSDGKLHTPHHOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S2/c16-6-8-17-7-5-15-13(14-4-2-10-19-14)11-12-3-1-9-18-12/h1-4,9-10,13,15-16H,5-8,11H2.
What are the key properties of 2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol?
2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol has a molecular weight of 297.45 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol is sourced from PubChem (CID 43771514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).