3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol

C11H17NO2S — CID 115896443

IUPAC3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1ccsc1
InChIInChI=1S/C11H17NO2S/c1-9(10-2-5-15-6-10)12-7-11(13)3-4-14-8-11/h2,5-6,9,12-13H,3-4,7-8H2,1H3
InChIKeyPKEFQUZNRASEBR-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.55
Rot. Bonds4

About 3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol

3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol (PubChem CID 115896443) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
PubChem CID115896443
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1ccsc1
InChIInChI=1S/C11H17NO2S/c1-9(10-2-5-15-6-10)12-7-11(13)3-4-14-8-11/h2,5-6,9,12-13H,3-4,7-8H2,1H3
InChIKeyPKEFQUZNRASEBR-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65116695
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 97107019
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
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
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834

Frequently Asked Questions

What is the IUPAC name of 3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol (CID 115896443) is 3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol is CC(NCC1(O)CCOC1)c1ccsc1.
What is the InChIKey of 3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol?
The InChIKey is PKEFQUZNRASEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(10-2-5-15-6-10)12-7-11(13)3-4-14-8-11/h2,5-6,9,12-13H,3-4,7-8H2,1H3.
What are the key properties of 3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol?
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol has a molecular weight of 227.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 115896443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).