3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide

C8H19FN2O3S — CID 120717486

IUPAC3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide
SMILESCOCCNCCNS(=O)(=O)CCCF
InChIInChI=1S/C8H19FN2O3S/c1-14-7-6-10-4-5-11-15(12,13)8-2-3-9/h10-11H,2-8H2,1H3
InChIKeyPJEBIPMDEBDHAP-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.50
Rot. Bonds10

About 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide

3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide (PubChem CID 120717486) has the molecular formula C8H19FN2O3S and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide
PubChem CID120717486
Molecular FormulaC8H19FN2O3S
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Name3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide
SMILESCOCCNCCNS(=O)(=O)CCCF
InChIInChI=1S/C8H19FN2O3S/c1-14-7-6-10-4-5-11-15(12,13)8-2-3-9/h10-11H,2-8H2,1H3
InChIKeyPJEBIPMDEBDHAP-UHFFFAOYSA-N
XLogP-0.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide (CID 120717486) is 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide is COCCNCCNS(=O)(=O)CCCF.
What is the InChIKey of 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide?
The InChIKey is PJEBIPMDEBDHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2O3S/c1-14-7-6-10-4-5-11-15(12,13)8-2-3-9/h10-11H,2-8H2,1H3.
What are the key properties of 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide?
3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide has a molecular weight of 242.32 g/mol, XLogP of -0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 120717486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).