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

C12H25N3O4S — CID 139973145

IUPAC2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCNCCN(C)S(C)(=O)=O
InChIInChI=1S/C12H25N3O4S/c1-11(2)12(16)19-10-8-14-6-5-13-7-9-15(3)20(4,17)18/h13-14H,1,5-10H2,2-4H3
InChIKeySFKJLYQRHOWRJI-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.82
Rot. Bonds11

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

2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate (PubChem CID 139973145) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
PubChem CID139973145
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Name2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCNCCN(C)S(C)(=O)=O
InChIInChI=1S/C12H25N3O4S/c1-11(2)12(16)19-10-8-14-6-5-13-7-9-15(3)20(4,17)18/h13-14H,1,5-10H2,2-4H3
InChIKeySFKJLYQRHOWRJI-UHFFFAOYSA-N
XLogP-0.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
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

2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732
2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
CID 139970862
2-[2-[2-[2-[ethylsulfonyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139973114
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(iodoamino)ethyl 2-methylprop-2-enoate
CID 144974054
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl 2-methylprop-2-enoate
CID 163863615
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate (CID 139973145) is 2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNCCNCCN(C)S(C)(=O)=O.
What is the InChIKey of 2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is SFKJLYQRHOWRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-11(2)12(16)19-10-8-14-6-5-13-7-9-15(3)20(4,17)18/h13-14H,1,5-10H2,2-4H3.
What are the key properties of 2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 307.42 g/mol, XLogP of -0.82, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).