ethyl 2-(ethylsulfonylamino)prop-2-enoate

C7H13NO4S — CID 11469827

IUPACethyl 2-(ethylsulfonylamino)prop-2-enoate
SMILESC=C(NS(=O)(=O)CC)C(=O)OCC
InChIInChI=1S/C7H13NO4S/c1-4-12-7(9)6(3)8-13(10,11)5-2/h8H,3-5H2,1-2H3
InChIKeyVGIXDLWAJIOMOH-UHFFFAOYSA-N
MW207.25 g/mol
LogP0.00
Rot. Bonds5

About ethyl 2-(ethylsulfonylamino)prop-2-enoate

ethyl 2-(ethylsulfonylamino)prop-2-enoate (PubChem CID 11469827) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is ethyl 2-(ethylsulfonylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(ethylsulfonylamino)prop-2-enoate
PubChem CID11469827
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Nameethyl 2-(ethylsulfonylamino)prop-2-enoate
SMILESC=C(NS(=O)(=O)CC)C(=O)OCC
InChIInChI=1S/C7H13NO4S/c1-4-12-7(9)6(3)8-13(10,11)5-2/h8H,3-5H2,1-2H3
InChIKeyVGIXDLWAJIOMOH-UHFFFAOYSA-N
XLogP0.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 50.00
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

propyl 2-(hexylsulfonylamino)prop-2-enoate
CID 174510309
ethyl 2-methylprop-2-enoate
CID 130475774
diethyl 2-methylidenepropanedioate;mercury
CID 174815236
sodium ethyl 2-methylprop-2-enoate
CID 23346885
1-O-ethyl 3-O-methyl 2-oxopropanedioate
CID 547672
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
CID 159370772
CID 159370772
ethyl 3-methyl-3-(methylamino)-2-methylidenebutanoate
CID 141256039
ethyl 2-(2-bromopropoxy)prop-2-enoate
CID 57254439
sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride
CID 174763999

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylsulfonylamino)prop-2-enoate?
The IUPAC name of ethyl 2-(ethylsulfonylamino)prop-2-enoate (CID 11469827) is ethyl 2-(ethylsulfonylamino)prop-2-enoate.
What is the SMILES notation for ethyl 2-(ethylsulfonylamino)prop-2-enoate?
The canonical SMILES for ethyl 2-(ethylsulfonylamino)prop-2-enoate is C=C(NS(=O)(=O)CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylsulfonylamino)prop-2-enoate?
The InChIKey is VGIXDLWAJIOMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-4-12-7(9)6(3)8-13(10,11)5-2/h8H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(ethylsulfonylamino)prop-2-enoate?
ethyl 2-(ethylsulfonylamino)prop-2-enoate has a molecular weight of 207.25 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylsulfonylamino)prop-2-enoate is sourced from PubChem (CID 11469827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).