3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol

C13H21NO2S — CID 103904866

IUPAC3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol
SMILESCCc1ccc(C(C)NCC2(O)CCOC2)s1
InChIInChI=1S/C13H21NO2S/c1-3-11-4-5-12(17-11)10(2)14-8-13(15)6-7-16-9-13/h4-5,10,14-15H,3,6-9H2,1-2H3
InChIKeyVXDKWZPAAUVURN-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.11
Rot. Bonds5

About 3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol

3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 103904866) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID103904866
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol
SMILESCCc1ccc(C(C)NCC2(O)CCOC2)s1
InChIInChI=1S/C13H21NO2S/c1-3-11-4-5-12(17-11)10(2)14-8-13(15)6-7-16-9-13/h4-5,10,14-15H,3,6-9H2,1-2H3
InChIKeyVXDKWZPAAUVURN-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902899
(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol
CID 97108238
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
CID 107269723
3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 115896432
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
CID 103904838
(3R)-3-[[[(1R)-1-(4-bromo-3-methylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 100679283
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol (CID 103904866) is 3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol is CCc1ccc(C(C)NCC2(O)CCOC2)s1.
What is the InChIKey of 3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is VXDKWZPAAUVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-11-4-5-12(17-11)10(2)14-8-13(15)6-7-16-9-13/h4-5,10,14-15H,3,6-9H2,1-2H3.
What are the key properties of 3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol?
3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 255.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).