2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

C15H29NO7S — CID 139973114

About 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 139973114) has the molecular formula C15H29NO7S and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 139973114
• Molecular Formula: C15H29NO7S
• Molecular Weight: 367.46 g/mol
• Exact Mass: 367.17
• IUPAC Name: 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCCOCCOCCN(C)S(=O)(=O)CC
• InChI: InChI=1S/C15H29NO7S/c1-5-24(18,19)16(4)6-7-20-8-9-21-10-11-22-12-13-23-15(17)14(2)3/h2,5-13H2,1,3-4H3
• InChIKey: PMGWSXMXXQFVCZ-UHFFFAOYSA-N
• XLogP: 0.44
• TPSA: 91.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.46
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (CID 139973114) is 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOCCOCCN(C)S(=O)(=O)CC.

What is the InChIKey of 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is PMGWSXMXXQFVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO7S/c1-5-24(18,19)16(4)6-7-20-8-9-21-10-11-22-12-13-23-15(17)14(2)3/h2,5-13H2,1,3-4H3.

What are the key properties of 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 367.46 g/mol, XLogP of 0.44, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).