2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide

C12H15FN2O2S — CID 81182603

IUPAC2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H15FN2O2S/c1-7(12(16)15-10-2-3-10)18(17)11-5-8(13)4-9(14)6-11/h4-7,10H,2-3,14H2,1H3,(H,15,16)
InChIKeyJABMFTMMYJIBFT-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.18
Rot. Bonds4

About 2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide

2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide (PubChem CID 81182603) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
PubChem CID81182603
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H15FN2O2S/c1-7(12(16)15-10-2-3-10)18(17)11-5-8(13)4-9(14)6-11/h4-7,10H,2-3,14H2,1H3,(H,15,16)
InChIKeyJABMFTMMYJIBFT-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide 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

2-(3-aminophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81180898
3-fluoro-5-propan-2-ylsulfinylaniline
CID 81182017
3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81181859
2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81183408
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81206944
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
CID 81201850
2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide
CID 61366940
2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
CID 81192665
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81183174
3-(2-cyclopropylethylsulfinyl)-5-fluoroaniline
CID 81182349
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide
CID 81190714
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide?
The IUPAC name of 2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide (CID 81182603) is 2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide?
The canonical SMILES for 2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)S(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide?
The InChIKey is JABMFTMMYJIBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-7(12(16)15-10-2-3-10)18(17)11-5-8(13)4-9(14)6-11/h4-7,10H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide?
2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide is sourced from PubChem (CID 81182603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).