methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate

C6H10N2O6S — CID 14991439

IUPACmethyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCC(=O)NS(C)(=O)=O
InChIInChI=1S/C6H10N2O6S/c1-14-6(11)5(10)7-3-4(9)8-15(2,12)13/h3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyXACUKMLITUICBQ-UHFFFAOYSA-N
MW238.22 g/mol
LogP-2.65
Rot. Bonds3

About methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate

methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate (PubChem CID 14991439) has the molecular formula C6H10N2O6S and a molecular weight of 238.22 g/mol. Its IUPAC name is methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate
PubChem CID14991439
Molecular FormulaC6H10N2O6S
Molecular Weight238.22 g/mol
Exact Mass238.03
IUPAC Namemethyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCC(=O)NS(C)(=O)=O
InChIInChI=1S/C6H10N2O6S/c1-14-6(11)5(10)7-3-4(9)8-15(2,12)13/h3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyXACUKMLITUICBQ-UHFFFAOYSA-N
XLogP-2.65
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 5-2.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-Methanesulfonylamino-2-oxo-ethyl)-oxalamic acid
CID 14991440
Ethyl 2-[2-(4-methylsulfonylpiperazin-1-yl)ethylamino]-2-oxoacetate
CID 45505510
Methyl 2-acetamido-3-(methanesulfonamido)propanoate
CID 123707802
N-(2-methoxyethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464363
2-[[2-(Methanesulfonamido)acetyl]amino]acetic acid
CID 43386638
Methyl 2-[2-(methanesulfonamido)ethylamino]acetate
CID 43546004
2-[2-(Methanesulfonamido)ethylamino]-2-oxoacetic acid
CID 43546341
Glycine, N-[N-(methylsulfonyl)glycyl]-, ethyl ester
CID 47892396
N-[2-(methanesulfonamido)ethyl]-2-methoxyacetamide
CID 60729923
2-ethoxy-N-[2-(methanesulfonamido)ethyl]acetamide
CID 60729981
Ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate
CID 60893571
Ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate
CID 60893573

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate?
The IUPAC name of methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate (CID 14991439) is methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate is COC(=O)C(=O)NCC(=O)NS(C)(=O)=O.
What is the InChIKey of methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate?
The InChIKey is XACUKMLITUICBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O6S/c1-14-6(11)5(10)7-3-4(9)8-15(2,12)13/h3H2,1-2H3,(H,7,10)(H,8,9).
What are the key properties of methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate?
methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate has a molecular weight of 238.22 g/mol, XLogP of -2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(methanesulfonamido)-2-oxoethyl]amino]-2-oxoacetate is sourced from PubChem (CID 14991439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).