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

C10H20N2O4S — CID 139973089

IUPAC2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCN(C)S(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-9(2)10(13)16-8-6-11-5-7-12(3)17(4,14)15/h11H,1,5-8H2,2-4H3
InChIKeyHDNCPEBCQDMDPU-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.41
Rot. Bonds8

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

2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate (PubChem CID 139973089) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate
PubChem CID139973089
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCN(C)S(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-9(2)10(13)16-8-6-11-5-7-12(3)17(4,14)15/h11H,1,5-8H2,2-4H3
InChIKeyHDNCPEBCQDMDPU-UHFFFAOYSA-N
XLogP-0.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.41
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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Related Compounds

N,N-dimethyl(methacryloyloxyethyl)ammonium propanesulfonate
CID 17996955
2-(2-Aminoethylamino)ethyl 2-methylprop-2-enoate
CID 21549864
Diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-(2-methylprop-2-enoyloxy)ethanesulfonate
CID 19917314
2-[Ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate
CID 21359022
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-(2-methylprop-2-enoyloxy)ethanesulfonate
CID 22403537
2-[2-(2-Methylprop-2-enoyloxy)ethylamino]ethanesulfonic acid
CID 85779077
3-[2-(2-Methylprop-2-enoyloxy)ethylamino]propane-1-sulfonic acid
CID 87146952
Azanium;2-(methylamino)ethyl 2-methylprop-2-enoate;methyl sulfate
CID 88637119
Methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;methyl sulfate
CID 88740789
2-[2-[2-(2-Methylprop-2-enoyloxy)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
CID 89206110
2-(2-Methylprop-2-enoyloxy)ethyl-(3-sulfopropyl)azanium hydroxide
CID 89542528
2-(Propylamino)propyl 3-methoxysulfonyl-2-methylprop-2-enoate
CID 118276855

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate (CID 139973089) is 2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNCCN(C)S(C)(=O)=O.
What is the InChIKey of 2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is HDNCPEBCQDMDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9(2)10(13)16-8-6-11-5-7-12(3)17(4,14)15/h11H,1,5-8H2,2-4H3.
What are the key properties of 2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate?
2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 264.35 g/mol, XLogP of -0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).