2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide

C10H13FN2OS — CID 24706980

IUPAC2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
SMILESNCCSCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H13FN2OS/c11-8-2-1-3-9(6-8)13-10(14)7-15-5-4-12/h1-3,6H,4-5,7,12H2,(H,13,14)
InChIKeyHXJAYIYQGJFOST-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.46
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide

2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide (PubChem CID 24706980) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
PubChem CID24706980
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
SMILESNCCSCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H13FN2OS/c11-8-2-1-3-9(6-8)13-10(14)7-15-5-4-12/h1-3,6H,4-5,7,12H2,(H,13,14)
InChIKeyHXJAYIYQGJFOST-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 134064922
2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide
CID 66220054
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 30471958
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66218573
3-(3-amino-2-methylpropyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 66224940
2-(2-aminoethylsulfanyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 84552453
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79144177
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66217561
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 63315183

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide (CID 24706980) is 2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide is NCCSCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide?
The InChIKey is HXJAYIYQGJFOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c11-8-2-1-3-9(6-8)13-10(14)7-15-5-4-12/h1-3,6H,4-5,7,12H2,(H,13,14).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide?
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide has a molecular weight of 228.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 24706980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).