N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide

C8H15FN2O3S — CID 127266610

IUPACN-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide
SMILESCC=C(F)C(=O)NCCNS(=O)(=O)CC
InChIInChI=1S/C8H15FN2O3S/c1-3-7(9)8(12)10-5-6-11-15(13,14)4-2/h3,11H,4-6H2,1-2H3,(H,10,12)
InChIKeyLCUMQHQESKHYGV-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.08
Rot. Bonds6

About N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide

N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide (PubChem CID 127266610) has the molecular formula C8H15FN2O3S and a molecular weight of 238.28 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide
PubChem CID127266610
Molecular FormulaC8H15FN2O3S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide
SMILESCC=C(F)C(=O)NCCNS(=O)(=O)CC
InChIInChI=1S/C8H15FN2O3S/c1-3-7(9)8(12)10-5-6-11-15(13,14)4-2/h3,11H,4-6H2,1-2H3,(H,10,12)
InChIKeyLCUMQHQESKHYGV-UHFFFAOYSA-N
XLogP-0.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide (CID 127266610) is N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide is CC=C(F)C(=O)NCCNS(=O)(=O)CC.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide?
The InChIKey is LCUMQHQESKHYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O3S/c1-3-7(9)8(12)10-5-6-11-15(13,14)4-2/h3,11H,4-6H2,1-2H3,(H,10,12).
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide?
N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide has a molecular weight of 238.28 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfonylamino)ethyl]-2-fluorobut-2-enamide is sourced from PubChem (CID 127266610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).