azane;methoxysulfonyl prop-2-enoate

C4H9NO5S — CID 174678030

IUPACazane;methoxysulfonyl prop-2-enoate
SMILESC=CC(=O)OS(=O)(=O)OC.N
InChIInChI=1S/C4H6O5S.H3N/c1-3-4(5)9-10(6,7)8-2;/h3H,1H2,2H3;1H3
InChIKeyVPFRCPMLVGSHEE-UHFFFAOYSA-N
MW183.18 g/mol
LogP-0.23
Rot. Bonds3

About azane;methoxysulfonyl prop-2-enoate

azane;methoxysulfonyl prop-2-enoate (PubChem CID 174678030) has the molecular formula C4H9NO5S and a molecular weight of 183.18 g/mol. Its IUPAC name is azane;methoxysulfonyl prop-2-enoate.

Molecular Properties

Compound Nameazane;methoxysulfonyl prop-2-enoate
PubChem CID174678030
Molecular FormulaC4H9NO5S
Molecular Weight183.18 g/mol
Exact Mass183.02
IUPAC Nameazane;methoxysulfonyl prop-2-enoate
SMILESC=CC(=O)OS(=O)(=O)OC.N
InChIInChI=1S/C4H6O5S.H3N/c1-3-4(5)9-10(6,7)8-2;/h3H,1H2,2H3;1H3
InChIKeyVPFRCPMLVGSHEE-UHFFFAOYSA-N
XLogP-0.23
TPSA104.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl prop-2-enoate;sulfuric acid
CID 174506127
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(3-methoxysulfonyloxy-2-methylbutan-2-yl) prop-2-enoate
CID 57150169
(4-methylphenyl)sulfonyl prop-2-enoate
CID 54186865
formaldehyde;bis(methyl prop-2-enoate)
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azane;dimethylamino prop-2-enoate
CID 162313992
N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate
CID 87758243
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
bis(methyl prop-2-enoate);propane
CID 160610529
dimethylamino prop-2-enoate
CID 20697927
dimethyltin;methyl prop-2-enoate
CID 174578648

Frequently Asked Questions

What is the IUPAC name of azane;methoxysulfonyl prop-2-enoate?
The IUPAC name of azane;methoxysulfonyl prop-2-enoate (CID 174678030) is azane;methoxysulfonyl prop-2-enoate.
What is the SMILES notation for azane;methoxysulfonyl prop-2-enoate?
The canonical SMILES for azane;methoxysulfonyl prop-2-enoate is C=CC(=O)OS(=O)(=O)OC.N.
What is the InChIKey of azane;methoxysulfonyl prop-2-enoate?
The InChIKey is VPFRCPMLVGSHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5S.H3N/c1-3-4(5)9-10(6,7)8-2;/h3H,1H2,2H3;1H3.
What are the key properties of azane;methoxysulfonyl prop-2-enoate?
azane;methoxysulfonyl prop-2-enoate has a molecular weight of 183.18 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methoxysulfonyl prop-2-enoate is sourced from PubChem (CID 174678030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).