(2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone

C11H12FNOS — CID 105483112

IUPAC(2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone
SMILESNc1ccc(F)cc1C(=O)C1CCSC1
InChIInChI=1S/C11H12FNOS/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7H,3-4,6,13H2
InChIKeySVKVZCFSGVTZCG-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.34
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone

(2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone (PubChem CID 105483112) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone
PubChem CID105483112
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name(2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone
SMILESNc1ccc(F)cc1C(=O)C1CCSC1
InChIInChI=1S/C11H12FNOS/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7H,3-4,6,13H2
InChIKeySVKVZCFSGVTZCG-UHFFFAOYSA-N
XLogP2.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
CID 105125105
thiolan-3-yl-(2,3,4-trifluorophenyl)methanone
CID 115824372
thiolan-3-yl-(2,4,6-trifluorophenyl)methanone
CID 65098564
(2,4-difluorophenyl)-(thietan-3-yl)methanone
CID 164657486
4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine
CID 103062345
(2-bromo-5-fluorophenyl)-cyclopropylmethanone
CID 114977645
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088412
N-(2-amino-4,6-difluorophenyl)thiolane-3-carboxamide
CID 81313992
cyclopentyl 2-amino-5-fluorobenzoate
CID 61278608
(2-amino-4-fluorophenyl)-piperidin-4-ylmethanone
CID 105479129
cyclopropyl-(5-fluoro-2-hydroxyphenyl)methanone
CID 62379019

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone (CID 105483112) is (2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone is Nc1ccc(F)cc1C(=O)C1CCSC1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone?
The InChIKey is SVKVZCFSGVTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7H,3-4,6,13H2.
What are the key properties of (2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone?
(2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone has a molecular weight of 225.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone is sourced from PubChem (CID 105483112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).