2-(2-amino-5-fluorophenyl)sulfanylacetamide

C8H9FN2OS — CID 79147639

IUPAC2-(2-amino-5-fluorophenyl)sulfanylacetamide
SMILESNC(=O)CSc1cc(F)ccc1N
InChIInChI=1S/C8H9FN2OS/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3H,4,10H2,(H2,11,12)
InChIKeyNQEIUWATOTXKDD-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.99
Rot. Bonds3

About 2-(2-amino-5-fluorophenyl)sulfanylacetamide

2-(2-amino-5-fluorophenyl)sulfanylacetamide (PubChem CID 79147639) has the molecular formula C8H9FN2OS and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfanylacetamide
PubChem CID79147639
Molecular FormulaC8H9FN2OS
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Name2-(2-amino-5-fluorophenyl)sulfanylacetamide
SMILESNC(=O)CSc1cc(F)ccc1N
InChIInChI=1S/C8H9FN2OS/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3H,4,10H2,(H2,11,12)
InChIKeyNQEIUWATOTXKDD-UHFFFAOYSA-N
XLogP0.99
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanylacetamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanylacetamide (CID 79147639) is 2-(2-amino-5-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfanylacetamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfanylacetamide is NC(=O)CSc1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfanylacetamide?
The InChIKey is NQEIUWATOTXKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2OS/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3H,4,10H2,(H2,11,12).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfanylacetamide?
2-(2-amino-5-fluorophenyl)sulfanylacetamide has a molecular weight of 200.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 79147639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).