(1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate

C7H10NO5S- — CID 177113124

IUPAC(1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate
SMILESC=CCO/C([O-])=N/S(=O)(=O)OCC=C
InChIInChI=1S/C7H11NO5S/c1-3-5-12-7(9)8-14(10,11)13-6-4-2/h3-4H,1-2,5-6H2,(H,8,9)/p-1
InChIKeyFZZZCZASRYFLJS-UHFFFAOYSA-M
MW220.23 g/mol
LogP-0.65
Rot. Bonds6

About (1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate

(1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate (PubChem CID 177113124) has the molecular formula C7H10NO5S- and a molecular weight of 220.23 g/mol. Its IUPAC name is (1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate.

Molecular Properties

Compound Name(1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate
PubChem CID177113124
Molecular FormulaC7H10NO5S-
Molecular Weight220.23 g/mol
Exact Mass220.03
IUPAC Name(1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate
SMILESC=CCO/C([O-])=N/S(=O)(=O)OCC=C
InChIInChI=1S/C7H11NO5S/c1-3-5-12-7(9)8-14(10,11)13-6-4-2/h3-4H,1-2,5-6H2,(H,8,9)/p-1
InChIKeyFZZZCZASRYFLJS-UHFFFAOYSA-M
XLogP-0.65
TPSA88.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

lithium prop-2-enyl sulfate
CID 87403119
CID 87404163
CID 87404163
aluminum tris(prop-2-enyl sulfate)
CID 173336945
nitroso prop-2-enyl sulfate
CID 151816255
2-oxo-2-prop-2-enoxyacetate
CID 18533281
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
3-silylsulfonyloxyprop-1-ene
CID 173032447
tetrakis(2-oxo-2-prop-2-enoxyacetate);titanium(4+)
CID 173131012
N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride
CID 154981836
prop-2-enyl trifluoromethanesulfonate;silane
CID 174615184
magnesium bis(4-oxo-4-prop-2-enoxy-3-sulfobutanoate)
CID 87989144
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928

Frequently Asked Questions

What is the IUPAC name of (1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate?
The IUPAC name of (1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate (CID 177113124) is (1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate.
What is the SMILES notation for (1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate?
The canonical SMILES for (1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate is C=CCO/C([O-])=N/S(=O)(=O)OCC=C.
What is the InChIKey of (1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate?
The InChIKey is FZZZCZASRYFLJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO5S/c1-3-5-12-7(9)8-14(10,11)13-6-4-2/h3-4H,1-2,5-6H2,(H,8,9)/p-1.
What are the key properties of (1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate?
(1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate has a molecular weight of 220.23 g/mol, XLogP of -0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate is sourced from PubChem (CID 177113124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).