N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide

C10H13FN2OS — CID 61024784

IUPACN-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C10H13FN2OS/c1-6(15-2)10(14)13-9-5-7(12)3-4-8(9)11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyGOKVZKIGOXUDPT-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.10
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide

N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide (PubChem CID 61024784) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
PubChem CID61024784
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC NameN-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C10H13FN2OS/c1-6(15-2)10(14)13-9-5-7(12)3-4-8(9)11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyGOKVZKIGOXUDPT-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.10
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

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N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
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N-(5-amino-2-fluorophenyl)-2-(2,3-dihydroxypropylsulfanyl)propanamide
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N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
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N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide (CID 61024784) is N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide is CSC(C)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide?
The InChIKey is GOKVZKIGOXUDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c1-6(15-2)10(14)13-9-5-7(12)3-4-8(9)11/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide?
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide has a molecular weight of 228.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 61024784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).