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N-allyl-N-methyl-4-amino-2-oxo-3-pentenesulfonamide

HCID 73663809
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Basic information

Standard SMILES
C=CCN(C)S(=O)(=O)CC(=O)C=C(C)N
InChIKey
FVRNNDYMKLGPSD-UHFFFAOYSA-N
Molecular formula
C9H16N2O3S
Average molar mass
232.3 g/mol

Names & identifiers

Preferred name
N-allyl-N-methyl-4-amino-2-oxo-3-pentenesulfonamide
IUPAC
4-amino-N-methyl-2-oxo-N-prop-2-enylpent-3-ene-1-sulfonamide

Names & synonyms

SCHEMBL7282774FVRNNDYMKLGPSD-UHFFFAOYSA-NN-allyl-N-methyl-4-amino-2-oxo-3-pentenesulfonamide

Database identifiers

PubChem CID
73663809

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
88.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
15
Formal charge
0
Complexity
365

Related reactions

2 records
New reaction record
HRID 134934 reaction equation
HRID 134934As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1252252 reaction equation
HRID 1252252As productuspto-grants-1988_05

Compound notes

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