(2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride

C5H10FNOS — CID 89131706

IUPAC(2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride
SMILESCCN[C@@H](CS)C(=O)F
InChIInChI=1S/C5H10FNOS/c1-2-7-4(3-9)5(6)8/h4,7,9H,2-3H2,1H3/t4-/m0/s1
InChIKeyLKVVSXPFWJGCPM-BYPYZUCNSA-N
MW151.21 g/mol
LogP0.39
Rot. Bonds4

About (2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride

(2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride (PubChem CID 89131706) has the molecular formula C5H10FNOS and a molecular weight of 151.21 g/mol. Its IUPAC name is (2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride.

Molecular Properties

Compound Name(2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride
PubChem CID89131706
Molecular FormulaC5H10FNOS
Molecular Weight151.21 g/mol
Exact Mass151.05
IUPAC Name(2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride
SMILESCCN[C@@H](CS)C(=O)F
InChIInChI=1S/C5H10FNOS/c1-2-7-4(3-9)5(6)8/h4,7,9H,2-3H2,1H3/t4-/m0/s1
InChIKeyLKVVSXPFWJGCPM-BYPYZUCNSA-N
XLogP0.39
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride?
The IUPAC name of (2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride (CID 89131706) is (2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride.
What is the SMILES notation for (2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride?
The canonical SMILES for (2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride is CCN[C@@H](CS)C(=O)F.
What is the InChIKey of (2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride?
The InChIKey is LKVVSXPFWJGCPM-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10FNOS/c1-2-7-4(3-9)5(6)8/h4,7,9H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride?
(2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride has a molecular weight of 151.21 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride is sourced from PubChem (CID 89131706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).