4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol

C10H13FN2OS — CID 79140587

IUPAC4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol
SMILESNc1ccc(SC2CNCC2O)cc1F
InChIInChI=1S/C10H13FN2OS/c11-7-3-6(1-2-8(7)12)15-10-5-13-4-9(10)14/h1-3,9-10,13-14H,4-5,12H2
InChIKeyIDTRCWJOKHTTOD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.83
Rot. Bonds2

About 4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol

4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol (PubChem CID 79140587) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol
PubChem CID79140587
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol
SMILESNc1ccc(SC2CNCC2O)cc1F
InChIInChI=1S/C10H13FN2OS/c11-7-3-6(1-2-8(7)12)15-10-5-13-4-9(10)14/h1-3,9-10,13-14H,4-5,12H2
InChIKeyIDTRCWJOKHTTOD-UHFFFAOYSA-N
XLogP0.83
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-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 4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol?
The IUPAC name of 4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol (CID 79140587) is 4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol.
What is the SMILES notation for 4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol?
The canonical SMILES for 4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol is Nc1ccc(SC2CNCC2O)cc1F.
What is the InChIKey of 4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol?
The InChIKey is IDTRCWJOKHTTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c11-7-3-6(1-2-8(7)12)15-10-5-13-4-9(10)14/h1-3,9-10,13-14H,4-5,12H2.
What are the key properties of 4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol?
4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol has a molecular weight of 228.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-fluorophenyl)sulfanylpyrrolidin-3-ol is sourced from PubChem (CID 79140587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).