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

C10H19NO5S — CID 139973100

IUPAC2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCNS(=O)(=O)CC
InChIInChI=1S/C10H19NO5S/c1-4-17(13,14)11-5-6-15-7-8-16-10(12)9(2)3/h11H,2,4-8H2,1,3H3
InChIKeyKTDVEGCUDGFNIV-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.06
Rot. Bonds9

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

2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 139973100) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID139973100
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCNS(=O)(=O)CC
InChIInChI=1S/C10H19NO5S/c1-4-17(13,14)11-5-6-15-7-8-16-10(12)9(2)3/h11H,2,4-8H2,1,3H3
InChIKeyKTDVEGCUDGFNIV-UHFFFAOYSA-N
XLogP0.06
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate (CID 139973100) is 2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCNS(=O)(=O)CC.
What is the InChIKey of 2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is KTDVEGCUDGFNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-4-17(13,14)11-5-6-15-7-8-16-10(12)9(2)3/h11H,2,4-8H2,1,3H3.
What are the key properties of 2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 265.33 g/mol, XLogP of 0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylsulfonylamino)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).