2-(4-amino-2-fluorophenyl)sulfanylpropanamide

C9H11FN2OS — CID 43303751

IUPAC2-(4-amino-2-fluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(N)cc1F)C(N)=O
InChIInChI=1S/C9H11FN2OS/c1-5(9(12)13)14-8-3-2-6(11)4-7(8)10/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyWNHYFWQBUBNHQN-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-amino-2-fluorophenyl)sulfanylpropanamide

2-(4-amino-2-fluorophenyl)sulfanylpropanamide (PubChem CID 43303751) has the molecular formula C9H11FN2OS and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfanylpropanamide
PubChem CID43303751
Molecular FormulaC9H11FN2OS
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC Name2-(4-amino-2-fluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(N)cc1F)C(N)=O
InChIInChI=1S/C9H11FN2OS/c1-5(9(12)13)14-8-3-2-6(11)4-7(8)10/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyWNHYFWQBUBNHQN-UHFFFAOYSA-N
XLogP1.37
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.37
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

(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
2-(4-amino-2-methoxyphenyl)sulfanylpropanamide
CID 79822587
2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 43303759
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 43303746
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide
CID 63582597
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 43134935
N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345469
propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate
CID 43303372
methyl 2-(4-amino-2-bromophenyl)sulfanylpropanoate
CID 82841524
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanylpropanamide (CID 43303751) is 2-(4-amino-2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfanylpropanamide is CC(Sc1ccc(N)cc1F)C(N)=O.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfanylpropanamide?
The InChIKey is WNHYFWQBUBNHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c1-5(9(12)13)14-8-3-2-6(11)4-7(8)10/h2-5H,11H2,1H3,(H2,12,13).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfanylpropanamide?
2-(4-amino-2-fluorophenyl)sulfanylpropanamide has a molecular weight of 214.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 43303751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).