prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene

C9H15NO3S — CID 89307077

IUPACprop-2-enamide;3-prop-2-enylsulfonylprop-1-ene
SMILESC=CC(N)=O.C=CCS(=O)(=O)CC=C
InChIInChI=1S/C6H10O2S.C3H5NO/c1-3-5-9(7,8)6-4-2;1-2-3(4)5/h3-4H,1-2,5-6H2;2H,1H2,(H2,4,5)
InChIKeyDRUQQFMSUSSEEZ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.43
Rot. Bonds5

About prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene

prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene (PubChem CID 89307077) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene.

Molecular Properties

Compound Nameprop-2-enamide;3-prop-2-enylsulfonylprop-1-ene
PubChem CID89307077
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Nameprop-2-enamide;3-prop-2-enylsulfonylprop-1-ene
SMILESC=CC(N)=O.C=CCS(=O)(=O)CC=C
InChIInChI=1S/C6H10O2S.C3H5NO/c1-3-5-9(7,8)6-4-2;1-2-3(4)5/h3-4H,1-2,5-6H2;2H,1H2,(H2,4,5)
InChIKeyDRUQQFMSUSSEEZ-UHFFFAOYSA-N
XLogP0.43
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylsulfonylformamide
CID 87300563
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
ethane-1,2-diamine;bis(prop-2-enamide)
CID 23336954
CID 175387410
CID 175387410
molecular hydrogen;prop-2-enamide
CID 156651584
magnesium;prop-2-enamide;dihydroxide
CID 175298952
potassium;prop-2-enamide;chloride
CID 161245795
CID 172708986
CID 172708986
ethene-1,1-diol;prop-2-enamide
CID 174658864
methanamine;prop-2-enamide;hydrate
CID 174696935

Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene?
The IUPAC name of prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene (CID 89307077) is prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene.
What is the SMILES notation for prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene?
The canonical SMILES for prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene is C=CC(N)=O.C=CCS(=O)(=O)CC=C.
What is the InChIKey of prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene?
The InChIKey is DRUQQFMSUSSEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S.C3H5NO/c1-3-5-9(7,8)6-4-2;1-2-3(4)5/h3-4H,1-2,5-6H2;2H,1H2,(H2,4,5).
What are the key properties of prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene?
prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene has a molecular weight of 217.29 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene is sourced from PubChem (CID 89307077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).