magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate

C12H22MgN2O5S — CID 174803030

IUPACmagnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate
SMILESC=C(C)C(=O)NCCOS(=O)(=O)CCNC(=O)C(=C)C.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H20N2O5S.Mg.2H/c1-9(2)11(15)13-5-7-19-20(17,18)8-6-14-12(16)10(3)4;;;/h1,3,5-8H2,2,4H3,(H,13,15)(H,14,16);;;/q;+2;2*-1
InChIKeyFKLACURALXWYGN-UHFFFAOYSA-N
MW330.69 g/mol
LogP-0.44
Rot. Bonds9

About magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate

magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate (PubChem CID 174803030) has the molecular formula C12H22MgN2O5S and a molecular weight of 330.69 g/mol. Its IUPAC name is magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate.

Molecular Properties

Compound Namemagnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate
PubChem CID174803030
Molecular FormulaC12H22MgN2O5S
Molecular Weight330.69 g/mol
Exact Mass330.11
IUPAC Namemagnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate
SMILESC=C(C)C(=O)NCCOS(=O)(=O)CCNC(=O)C(=C)C.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H20N2O5S.Mg.2H/c1-9(2)11(15)13-5-7-19-20(17,18)8-6-14-12(16)10(3)4;;;/h1,3,5-8H2,2,4H3,(H,13,15)(H,14,16);;;/q;+2;2*-1
InChIKeyFKLACURALXWYGN-UHFFFAOYSA-N
XLogP-0.44
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylprop-2-enoylamino)propyl 3-amino-3-methylbutane-1-sulfonate
CID 87201956
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87093893
2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium
CID 154599046
1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
CID 118147420
N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide
CID 23525810
N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
CID 87732978
1-O-methyl 4-O-[2-(2-methylprop-2-enoylamino)ethyl] butanedioate
CID 88908253
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide
CID 160653023
3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate
CID 87094013

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate?
The IUPAC name of magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate (CID 174803030) is magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate.
What is the SMILES notation for magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate?
The canonical SMILES for magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate is C=C(C)C(=O)NCCOS(=O)(=O)CCNC(=O)C(=C)C.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate?
The InChIKey is FKLACURALXWYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S.Mg.2H/c1-9(2)11(15)13-5-7-19-20(17,18)8-6-14-12(16)10(3)4;;;/h1,3,5-8H2,2,4H3,(H,13,15)(H,14,16);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate?
magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate has a molecular weight of 330.69 g/mol, XLogP of -0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate is sourced from PubChem (CID 174803030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).