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

C7H14N2O3S — CID 54338727

IUPACN-[2-(ethylsulfonylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNS(=O)(=O)CC
InChIInChI=1S/C7H14N2O3S/c1-3-7(10)8-5-6-9-13(11,12)4-2/h3,9H,1,4-6H2,2H3,(H,8,10)
InChIKeyTXKAJQRNADDURD-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.77
Rot. Bonds6

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

N-[2-(ethylsulfonylamino)ethyl]prop-2-enamide (PubChem CID 54338727) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]prop-2-enamide
PubChem CID54338727
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNS(=O)(=O)CC
InChIInChI=1S/C7H14N2O3S/c1-3-7(10)8-5-6-9-13(11,12)4-2/h3,9H,1,4-6H2,2H3,(H,8,10)
InChIKeyTXKAJQRNADDURD-UHFFFAOYSA-N
XLogP-0.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.77
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]prop-2-enamide?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]prop-2-enamide (CID 54338727) is N-[2-(ethylsulfonylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]prop-2-enamide is C=CC(=O)NCCNS(=O)(=O)CC.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]prop-2-enamide?
The InChIKey is TXKAJQRNADDURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-3-7(10)8-5-6-9-13(11,12)4-2/h3,9H,1,4-6H2,2H3,(H,8,10).
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]prop-2-enamide?
N-[2-(ethylsulfonylamino)ethyl]prop-2-enamide has a molecular weight of 206.27 g/mol, XLogP of -0.77, 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]prop-2-enamide is sourced from PubChem (CID 54338727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).