3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol

C9H15NO2S — CID 106434996

IUPAC3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
SMILESOCCCNCC(O)c1ccsc1
InChIInChI=1S/C9H15NO2S/c11-4-1-3-10-6-9(12)8-2-5-13-7-8/h2,5,7,9-12H,1,3-4,6H2
InChIKeyQPXAOANPAZGLRV-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.75
Rot. Bonds6

About 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol

3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol (PubChem CID 106434996) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
PubChem CID106434996
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
SMILESOCCCNCC(O)c1ccsc1
InChIInChI=1S/C9H15NO2S/c11-4-1-3-10-6-9(12)8-2-5-13-7-8/h2,5,7,9-12H,1,3-4,6H2
InChIKeyQPXAOANPAZGLRV-UHFFFAOYSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol
CID 106435002
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
CID 106434954
1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol
CID 106435353
N'-hydroxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanimidamide
CID 106435548
2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435055

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol?
The IUPAC name of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol (CID 106434996) is 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol is OCCCNCC(O)c1ccsc1.
What is the InChIKey of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol?
The InChIKey is QPXAOANPAZGLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c11-4-1-3-10-6-9(12)8-2-5-13-7-8/h2,5,7,9-12H,1,3-4,6H2.
What are the key properties of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol?
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol has a molecular weight of 201.29 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 106434996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).