1-sulfamoylethyl prop-2-enoate

C5H9NO4S — CID 19880963

IUPAC1-sulfamoylethyl prop-2-enoate
SMILESC=CC(=O)OC(C)S(N)(=O)=O
InChIInChI=1S/C5H9NO4S/c1-3-5(7)10-4(2)11(6,8)9/h3-4H,1H2,2H3,(H2,6,8,9)
InChIKeyAXNVKFWYDUXZTF-UHFFFAOYSA-N
MW179.20 g/mol
LogP-0.65
Rot. Bonds3

About 1-sulfamoylethyl prop-2-enoate

1-sulfamoylethyl prop-2-enoate (PubChem CID 19880963) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is 1-sulfamoylethyl prop-2-enoate.

Molecular Properties

Compound Name1-sulfamoylethyl prop-2-enoate
PubChem CID19880963
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name1-sulfamoylethyl prop-2-enoate
SMILESC=CC(=O)OC(C)S(N)(=O)=O
InChIInChI=1S/C5H9NO4S/c1-3-5(7)10-4(2)11(6,8)9/h3-4H,1H2,2H3,(H2,6,8,9)
InChIKeyAXNVKFWYDUXZTF-UHFFFAOYSA-N
XLogP-0.65
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
lithium 2-prop-2-enoyloxypropanoate
CID 157433958
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
[2-methyl-3-prop-2-enoyloxy-2-(1-prop-2-enoyloxyethyl)butanoyl]oxymethanesulfonic acid
CID 141499151
1-prop-2-enoyloxyethyl 2-chloropropanoate
CID 89183597
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
1-(carbamoylamino)ethyl prop-2-enoate
CID 22146186
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
propan-2-yl prop-2-enoate;2-sulfoacetic acid
CID 175284607
(4-amino-4-ethylhexan-2-yl) prop-2-enoate
CID 175405192
1-aminoethyl prop-2-enoate;furan-2,5-dione
CID 87091433

Frequently Asked Questions

What is the IUPAC name of 1-sulfamoylethyl prop-2-enoate?
The IUPAC name of 1-sulfamoylethyl prop-2-enoate (CID 19880963) is 1-sulfamoylethyl prop-2-enoate.
What is the SMILES notation for 1-sulfamoylethyl prop-2-enoate?
The canonical SMILES for 1-sulfamoylethyl prop-2-enoate is C=CC(=O)OC(C)S(N)(=O)=O.
What is the InChIKey of 1-sulfamoylethyl prop-2-enoate?
The InChIKey is AXNVKFWYDUXZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c1-3-5(7)10-4(2)11(6,8)9/h3-4H,1H2,2H3,(H2,6,8,9).
What are the key properties of 1-sulfamoylethyl prop-2-enoate?
1-sulfamoylethyl prop-2-enoate has a molecular weight of 179.20 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfamoylethyl prop-2-enoate is sourced from PubChem (CID 19880963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).