2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate

C10H20N2O6S2 — CID 139970862

IUPAC2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C10H20N2O6S2/c1-9(2)10(13)18-8-7-12(20(4,16)17)6-5-11-19(3,14)15/h11H,1,5-8H2,2-4H3
InChIKeyQEHIGPSVUUFSTL-UHFFFAOYSA-N
MW328.41 g/mol
LogP-1.08
Rot. Bonds9

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

2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 139970862) has the molecular formula C10H20N2O6S2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
PubChem CID139970862
Molecular FormulaC10H20N2O6S2
Molecular Weight328.41 g/mol
Exact Mass328.08
IUPAC Name2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C10H20N2O6S2/c1-9(2)10(13)18-8-7-12(20(4,16)17)6-5-11-19(3,14)15/h11H,1,5-8H2,2-4H3
InChIKeyQEHIGPSVUUFSTL-UHFFFAOYSA-N
XLogP-1.08
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 5-1.08
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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Related Compounds

N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 141436059
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]methanesulfonamide
CID 113066009
2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
CID 139973145
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide
CID 113065281
2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 123993867
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate (CID 139970862) is 2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(CCNS(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is QEHIGPSVUUFSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S2/c1-9(2)10(13)18-8-7-12(20(4,16)17)6-5-11-19(3,14)15/h11H,1,5-8H2,2-4H3.
What are the key properties of 2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 328.41 g/mol, XLogP of -1.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139970862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).