3-(propylaminooxy)thiophen-2-ol

C7H11NO2S — CID 173375192

IUPAC3-(propylaminooxy)thiophen-2-ol
SMILESCCCNOc1ccsc1O
InChIInChI=1S/C7H11NO2S/c1-2-4-8-10-6-3-5-11-7(6)9/h3,5,8-9H,2,4H2,1H3
InChIKeyGVEQZTQFLJRLAH-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.75
Rot. Bonds4

About 3-(propylaminooxy)thiophen-2-ol

3-(propylaminooxy)thiophen-2-ol (PubChem CID 173375192) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(propylaminooxy)thiophen-2-ol.

Molecular Properties

Compound Name3-(propylaminooxy)thiophen-2-ol
PubChem CID173375192
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-(propylaminooxy)thiophen-2-ol
SMILESCCCNOc1ccsc1O
InChIInChI=1S/C7H11NO2S/c1-2-4-8-10-6-3-5-11-7(6)9/h3,5,8-9H,2,4H2,1H3
InChIKeyGVEQZTQFLJRLAH-UHFFFAOYSA-N
XLogP1.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(propylaminooxy)thiophen-2-ol?
The IUPAC name of 3-(propylaminooxy)thiophen-2-ol (CID 173375192) is 3-(propylaminooxy)thiophen-2-ol.
What is the SMILES notation for 3-(propylaminooxy)thiophen-2-ol?
The canonical SMILES for 3-(propylaminooxy)thiophen-2-ol is CCCNOc1ccsc1O.
What is the InChIKey of 3-(propylaminooxy)thiophen-2-ol?
The InChIKey is GVEQZTQFLJRLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-2-4-8-10-6-3-5-11-7(6)9/h3,5,8-9H,2,4H2,1H3.
What are the key properties of 3-(propylaminooxy)thiophen-2-ol?
3-(propylaminooxy)thiophen-2-ol has a molecular weight of 173.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylaminooxy)thiophen-2-ol is sourced from PubChem (CID 173375192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).