2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol

C10H17NO2S — CID 28727459

IUPAC2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
SMILESC[C@H](NCCOCCO)c1cccs1
InChIInChI=1S/C10H17NO2S/c1-9(10-3-2-8-14-10)11-4-6-13-7-5-12/h2-3,8-9,11-12H,4-7H2,1H3/t9-/m0/s1
InChIKeyMLKZTZRWARQRIV-VIFPVBQESA-N
MW215.32 g/mol
LogP1.41
Rot. Bonds7

About 2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol

2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol (PubChem CID 28727459) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
PubChem CID28727459
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
SMILESC[C@H](NCCOCCO)c1cccs1
InChIInChI=1S/C10H17NO2S/c1-9(10-3-2-8-14-10)11-4-6-13-7-5-12/h2-3,8-9,11-12H,4-7H2,1H3/t9-/m0/s1
InChIKeyMLKZTZRWARQRIV-VIFPVBQESA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
CID 104562673
2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol
CID 111439573
N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62584246
2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
CID 43771514
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62598016
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
CID 66276843
2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 103905543
(1S)-N-[2-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946
2-[2-[1-(4-phenylphenyl)ethylamino]ethoxy]ethanol
CID 43207514

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol (CID 28727459) is 2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol is C[C@H](NCCOCCO)c1cccs1.
What is the InChIKey of 2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol?
The InChIKey is MLKZTZRWARQRIV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO2S/c1-9(10-3-2-8-14-10)11-4-6-13-7-5-12/h2-3,8-9,11-12H,4-7H2,1H3/t9-/m0/s1.
What are the key properties of 2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol?
2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol has a molecular weight of 215.32 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol is sourced from PubChem (CID 28727459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).