1-(4-aminoperoxythiophen-2-yl)propan-2-ol

C7H11NO3S — CID 143240531

IUPAC1-(4-aminoperoxythiophen-2-yl)propan-2-ol
SMILESCC(O)Cc1cc(OON)cs1
InChIInChI=1S/C7H11NO3S/c1-5(9)2-7-3-6(4-12-7)10-11-8/h3-5,9H,2,8H2,1H3
InChIKeyZXMMFBUESPAYAF-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.86
Rot. Bonds4

About 1-(4-aminoperoxythiophen-2-yl)propan-2-ol

1-(4-aminoperoxythiophen-2-yl)propan-2-ol (PubChem CID 143240531) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-(4-aminoperoxythiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminoperoxythiophen-2-yl)propan-2-ol
PubChem CID143240531
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name1-(4-aminoperoxythiophen-2-yl)propan-2-ol
SMILESCC(O)Cc1cc(OON)cs1
InChIInChI=1S/C7H11NO3S/c1-5(9)2-7-3-6(4-12-7)10-11-8/h3-5,9H,2,8H2,1H3
InChIKeyZXMMFBUESPAYAF-UHFFFAOYSA-N
XLogP0.86
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-aminoperoxythiophen-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminoperoxythiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(4-aminoperoxythiophen-2-yl)propan-2-ol (CID 143240531) is 1-(4-aminoperoxythiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-aminoperoxythiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-aminoperoxythiophen-2-yl)propan-2-ol is CC(O)Cc1cc(OON)cs1.
What is the InChIKey of 1-(4-aminoperoxythiophen-2-yl)propan-2-ol?
The InChIKey is ZXMMFBUESPAYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-5(9)2-7-3-6(4-12-7)10-11-8/h3-5,9H,2,8H2,1H3.
What are the key properties of 1-(4-aminoperoxythiophen-2-yl)propan-2-ol?
1-(4-aminoperoxythiophen-2-yl)propan-2-ol has a molecular weight of 189.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminoperoxythiophen-2-yl)propan-2-ol is sourced from PubChem (CID 143240531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).