1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate

C11H22N2O6S2 — CID 139970894

IUPAC1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C11H22N2O6S2/c1-9(2)11(14)19-10(3)8-13(21(5,17)18)7-6-12-20(4,15)16/h10,12H,1,6-8H2,2-5H3
InChIKeyZAVPNEASDGDURB-UHFFFAOYSA-N
MW342.44 g/mol
LogP-0.69
Rot. Bonds9

About 1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate

1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate (PubChem CID 139970894) has the molecular formula C11H22N2O6S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate
PubChem CID139970894
Molecular FormulaC11H22N2O6S2
Molecular Weight342.44 g/mol
Exact Mass342.09
IUPAC Name1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C11H22N2O6S2/c1-9(2)11(14)19-10(3)8-13(21(5,17)18)7-6-12-20(4,15)16/h10,12H,1,6-8H2,2-5H3
InChIKeyZAVPNEASDGDURB-UHFFFAOYSA-N
XLogP-0.69
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
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 1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate (CID 139970894) is 1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CN(CCNS(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of 1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate?
The InChIKey is ZAVPNEASDGDURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S2/c1-9(2)11(14)19-10(3)8-13(21(5,17)18)7-6-12-20(4,15)16/h10,12H,1,6-8H2,2-5H3.
What are the key properties of 1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate?
1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate has a molecular weight of 342.44 g/mol, XLogP of -0.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)ethyl-methylsulfonylamino]propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 139970894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).