2-(ethylamino)-3-sulfanylpropanoyl fluoride

C5H10FNOS — CID 89131707

IUPAC2-(ethylamino)-3-sulfanylpropanoyl fluoride
SMILESCCNC(CS)C(=O)F
InChIInChI=1S/C5H10FNOS/c1-2-7-4(3-9)5(6)8/h4,7,9H,2-3H2,1H3
InChIKeyLKVVSXPFWJGCPM-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.39
Rot. Bonds4

About 2-(ethylamino)-3-sulfanylpropanoyl fluoride

2-(ethylamino)-3-sulfanylpropanoyl fluoride (PubChem CID 89131707) has the molecular formula C5H10FNOS and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(ethylamino)-3-sulfanylpropanoyl fluoride.

Molecular Properties

Compound Name2-(ethylamino)-3-sulfanylpropanoyl fluoride
PubChem CID89131707
Molecular FormulaC5H10FNOS
Molecular Weight151.21 g/mol
Exact Mass151.05
IUPAC Name2-(ethylamino)-3-sulfanylpropanoyl fluoride
SMILESCCNC(CS)C(=O)F
InChIInChI=1S/C5H10FNOS/c1-2-7-4(3-9)5(6)8/h4,7,9H,2-3H2,1H3
InChIKeyLKVVSXPFWJGCPM-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-sulfanylpropanoyl fluoride?
The IUPAC name of 2-(ethylamino)-3-sulfanylpropanoyl fluoride (CID 89131707) is 2-(ethylamino)-3-sulfanylpropanoyl fluoride.
What is the SMILES notation for 2-(ethylamino)-3-sulfanylpropanoyl fluoride?
The canonical SMILES for 2-(ethylamino)-3-sulfanylpropanoyl fluoride is CCNC(CS)C(=O)F.
What is the InChIKey of 2-(ethylamino)-3-sulfanylpropanoyl fluoride?
The InChIKey is LKVVSXPFWJGCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNOS/c1-2-7-4(3-9)5(6)8/h4,7,9H,2-3H2,1H3.
What are the key properties of 2-(ethylamino)-3-sulfanylpropanoyl fluoride?
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 2-(ethylamino)-3-sulfanylpropanoyl fluoride is sourced from PubChem (CID 89131707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).