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

C11H23N3O4S — CID 139973135

IUPAC2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCNCCNS(C)(=O)=O
InChIInChI=1S/C11H23N3O4S/c1-10(2)11(15)18-9-8-13-5-4-12-6-7-14-19(3,16)17/h12-14H,1,4-9H2,2-3H3
InChIKeyFKDZJJLVSHHAHC-UHFFFAOYSA-N
MW293.39 g/mol
LogP-1.17
Rot. Bonds11

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

2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate (PubChem CID 139973135) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
PubChem CID139973135
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCNCCNS(C)(=O)=O
InChIInChI=1S/C11H23N3O4S/c1-10(2)11(15)18-9-8-13-5-4-12-6-7-14-19(3,16)17/h12-14H,1,4-9H2,2-3H3
InChIKeyFKDZJJLVSHHAHC-UHFFFAOYSA-N
XLogP-1.17
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate (CID 139973135) is 2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNCCNCCNS(C)(=O)=O.
What is the InChIKey of 2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is FKDZJJLVSHHAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-10(2)11(15)18-9-8-13-5-4-12-6-7-14-19(3,16)17/h12-14H,1,4-9H2,2-3H3.
What are the key properties of 2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 293.39 g/mol, XLogP of -1.17, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).