2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

C12H23NO6S — CID 139973102

IUPAC2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOCCNS(=O)(=O)CC
InChIInChI=1S/C12H23NO6S/c1-4-20(15,16)13-5-6-17-7-8-18-9-10-19-12(14)11(2)3/h13H,2,4-10H2,1,3H3
InChIKeyORBZYPZHRBADTH-UHFFFAOYSA-N
MW309.38 g/mol
LogP0.08
Rot. Bonds12

About 2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 139973102) has the molecular formula C12H23NO6S and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID139973102
Molecular FormulaC12H23NO6S
Molecular Weight309.38 g/mol
Exact Mass309.12
IUPAC Name2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOCCNS(=O)(=O)CC
InChIInChI=1S/C12H23NO6S/c1-4-20(15,16)13-5-6-17-7-8-18-9-10-19-12(14)11(2)3/h13H,2,4-10H2,1,3H3
InChIKeyORBZYPZHRBADTH-UHFFFAOYSA-N
XLogP0.08
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (CID 139973102) is 2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOCCNS(=O)(=O)CC.
What is the InChIKey of 2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is ORBZYPZHRBADTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO6S/c1-4-20(15,16)13-5-6-17-7-8-18-9-10-19-12(14)11(2)3/h13H,2,4-10H2,1,3H3.
What are the key properties of 2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 309.38 g/mol, XLogP of 0.08, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).