methylaminooxysulfonylmethyl prop-2-enoate

C5H9NO5S — CID 175005633

IUPACmethylaminooxysulfonylmethyl prop-2-enoate
SMILESC=CC(=O)OCS(=O)(=O)ONC
InChIInChI=1S/C5H9NO5S/c1-3-5(7)10-4-12(8,9)11-6-2/h3,6H,1,4H2,2H3
InChIKeyJOBCMFWOJLDVOC-UHFFFAOYSA-N
MW195.20 g/mol
LogP-0.85
Rot. Bonds5

About methylaminooxysulfonylmethyl prop-2-enoate

methylaminooxysulfonylmethyl prop-2-enoate (PubChem CID 175005633) has the molecular formula C5H9NO5S and a molecular weight of 195.20 g/mol. Its IUPAC name is methylaminooxysulfonylmethyl prop-2-enoate.

Molecular Properties

Compound Namemethylaminooxysulfonylmethyl prop-2-enoate
PubChem CID175005633
Molecular FormulaC5H9NO5S
Molecular Weight195.20 g/mol
Exact Mass195.02
IUPAC Namemethylaminooxysulfonylmethyl prop-2-enoate
SMILESC=CC(=O)OCS(=O)(=O)ONC
InChIInChI=1S/C5H9NO5S/c1-3-5(7)10-4-12(8,9)11-6-2/h3,6H,1,4H2,2H3
InChIKeyJOBCMFWOJLDVOC-UHFFFAOYSA-N
XLogP-0.85
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[ethyl(dimethyl)-λ4-sulfanyl]methyl prop-2-enoate
CID 166843002
sodium;hydride;prop-2-enoyloxymethanesulfonic acid
CID 173366392
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
[2-(methylamino)-2-oxoethyl] prop-2-enoate
CID 141279925
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
(2-prop-2-enoyloxyethylamino)methanesulfonic acid
CID 150122074
ethenamine;ethyl prop-2-enoate
CID 22022699
methyl prop-2-enoate;sulfuric acid
CID 174506127
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594

Frequently Asked Questions

What is the IUPAC name of methylaminooxysulfonylmethyl prop-2-enoate?
The IUPAC name of methylaminooxysulfonylmethyl prop-2-enoate (CID 175005633) is methylaminooxysulfonylmethyl prop-2-enoate.
What is the SMILES notation for methylaminooxysulfonylmethyl prop-2-enoate?
The canonical SMILES for methylaminooxysulfonylmethyl prop-2-enoate is C=CC(=O)OCS(=O)(=O)ONC.
What is the InChIKey of methylaminooxysulfonylmethyl prop-2-enoate?
The InChIKey is JOBCMFWOJLDVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5S/c1-3-5(7)10-4-12(8,9)11-6-2/h3,6H,1,4H2,2H3.
What are the key properties of methylaminooxysulfonylmethyl prop-2-enoate?
methylaminooxysulfonylmethyl prop-2-enoate has a molecular weight of 195.20 g/mol, XLogP of -0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminooxysulfonylmethyl prop-2-enoate is sourced from PubChem (CID 175005633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).