2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate

C11H22N2O6S2 — CID 139970880

IUPAC2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCN(C)S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C11H22N2O6S2/c1-10(2)11(14)19-9-8-13(21(5,17)18)7-6-12(3)20(4,15)16/h1,6-9H2,2-5H3
InChIKeyGKUWRUSCEVPCER-UHFFFAOYSA-N
MW342.44 g/mol
LogP-0.74
Rot. Bonds9

About 2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate

2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 139970880) has the molecular formula C11H22N2O6S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
PubChem CID139970880
Molecular FormulaC11H22N2O6S2
Molecular Weight342.44 g/mol
Exact Mass342.09
IUPAC Name2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCN(C)S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C11H22N2O6S2/c1-10(2)11(14)19-9-8-13(21(5,17)18)7-6-12(3)20(4,15)16/h1,6-9H2,2-5H3
InChIKeyGKUWRUSCEVPCER-UHFFFAOYSA-N
XLogP-0.74
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate (CID 139970880) is 2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(CCN(C)S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of 2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is GKUWRUSCEVPCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S2/c1-10(2)11(14)19-9-8-13(21(5,17)18)7-6-12(3)20(4,15)16/h1,6-9H2,2-5H3.
What are the key properties of 2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 342.44 g/mol, XLogP of -0.74, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(methylsulfonyl)amino]ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139970880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).