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

C12H15FN2OS — CID 79147919

IUPAC3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide
SMILESNc1ccc(F)cc1SCCC(=O)NC1CC1
InChIInChI=1S/C12H15FN2OS/c13-8-1-4-10(14)11(7-8)17-6-5-12(16)15-9-2-3-9/h1,4,7,9H,2-3,5-6,14H2,(H,15,16)
InChIKeyMMWYESLFWBTOLQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.17
Rot. Bonds5

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

3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide (PubChem CID 79147919) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide
PubChem CID79147919
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide
SMILESNc1ccc(F)cc1SCCC(=O)NC1CC1
InChIInChI=1S/C12H15FN2OS/c13-8-1-4-10(14)11(7-8)17-6-5-12(16)15-9-2-3-9/h1,4,7,9H,2-3,5-6,14H2,(H,15,16)
InChIKeyMMWYESLFWBTOLQ-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide
CID 79148805
3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 55098398
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropylpropanamide
CID 62626845
3-(4-amino-2-bromophenyl)sulfanyl-N-cyclopropylpropanamide
CID 82841438
3-(2-amino-5-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 79147838
6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide
CID 79143496
ethyl 3-(2-amino-5-fluorophenyl)sulfanylpropanoate
CID 79147797
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 62627578
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 79128505
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
CID 79148883

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide?
The IUPAC name of 3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide (CID 79147919) is 3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide?
The canonical SMILES for 3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide is Nc1ccc(F)cc1SCCC(=O)NC1CC1.
What is the InChIKey of 3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide?
The InChIKey is MMWYESLFWBTOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c13-8-1-4-10(14)11(7-8)17-6-5-12(16)15-9-2-3-9/h1,4,7,9H,2-3,5-6,14H2,(H,15,16).
What are the key properties of 3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide?
3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide has a molecular weight of 254.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide is sourced from PubChem (CID 79147919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).