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

C14H27NO7S — CID 139973132

IUPAC2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOCCOCCNS(=O)(=O)CC
InChIInChI=1S/C14H27NO7S/c1-4-23(17,18)15-5-6-19-7-8-20-9-10-21-11-12-22-14(16)13(2)3/h15H,2,4-12H2,1,3H3
InChIKeyXFDVJHGVXGMGCN-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.09
Rot. Bonds15

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

2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 139973132) has the molecular formula C14H27NO7S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID139973132
Molecular FormulaC14H27NO7S
Molecular Weight353.44 g/mol
Exact Mass353.15
IUPAC Name2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOCCOCCNS(=O)(=O)CC
InChIInChI=1S/C14H27NO7S/c1-4-23(17,18)15-5-6-19-7-8-20-9-10-21-11-12-22-14(16)13(2)3/h15H,2,4-12H2,1,3H3
InChIKeyXFDVJHGVXGMGCN-UHFFFAOYSA-N
XLogP0.09
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (CID 139973132) is 2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOCCOCCNS(=O)(=O)CC.
What is the InChIKey of 2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is XFDVJHGVXGMGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO7S/c1-4-23(17,18)15-5-6-19-7-8-20-9-10-21-11-12-22-14(16)13(2)3/h15H,2,4-12H2,1,3H3.
What are the key properties of 2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 353.44 g/mol, XLogP of 0.09, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(ethylsulfonylamino)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).