2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol

C13H21NO2S — CID 114135927

IUPAC2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol
SMILESOC(CNCCC1CCCCO1)c1cccs1
InChIInChI=1S/C13H21NO2S/c15-12(13-5-3-9-17-13)10-14-7-6-11-4-1-2-8-16-11/h3,5,9,11-12,14-15H,1-2,4,6-8,10H2
InChIKeyGTSGDEHDQSUYPS-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.33
Rot. Bonds6

About 2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol

2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol (PubChem CID 114135927) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol
PubChem CID114135927
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol
SMILESOC(CNCCC1CCCCO1)c1cccs1
InChIInChI=1S/C13H21NO2S/c15-12(13-5-3-9-17-13)10-14-7-6-11-4-1-2-8-16-11/h3,5,9,11-12,14-15H,1-2,4,6-8,10H2
InChIKeyGTSGDEHDQSUYPS-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.33
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-amino-N-[2-(oxan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 114136015
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
2-(1,4-dioxan-2-ylmethylamino)-1-thiophen-2-ylethanol
CID 61023575
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
2-amino-N-[2-(oxolan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115286809
2-(2-cyclohexyloxyethylamino)-1-thiophen-2-ylethanol
CID 63827685
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
2-[3-(oxolan-2-yl)propylamino]-1-phenylethanol
CID 65164044
2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol
CID 61020491
4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile
CID 54916878
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide
CID 56793867

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol (CID 114135927) is 2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol is OC(CNCCC1CCCCO1)c1cccs1.
What is the InChIKey of 2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol?
The InChIKey is GTSGDEHDQSUYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c15-12(13-5-3-9-17-13)10-14-7-6-11-4-1-2-8-16-11/h3,5,9,11-12,14-15H,1-2,4,6-8,10H2.
What are the key properties of 2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol?
2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol has a molecular weight of 255.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 114135927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).