ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate

C7H14N2O5S — CID 60893571

IUPACethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C7H14N2O5S/c1-3-14-7(11)6(10)8-4-5-9-15(2,12)13/h9H,3-5H2,1-2H3,(H,8,10)
InChIKeyHHFWMQMIOUHMRS-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.79
Rot. Bonds5

About ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate

ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate (PubChem CID 60893571) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate
PubChem CID60893571
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Nameethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C7H14N2O5S/c1-3-14-7(11)6(10)8-4-5-9-15(2,12)13/h9H,3-5H2,1-2H3,(H,8,10)
InChIKeyHHFWMQMIOUHMRS-UHFFFAOYSA-N
XLogP-1.79
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate (CID 60893571) is ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCNS(C)(=O)=O.
What is the InChIKey of ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate?
The InChIKey is HHFWMQMIOUHMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-3-14-7(11)6(10)8-4-5-9-15(2,12)13/h9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate?
ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate has a molecular weight of 238.26 g/mol, XLogP of -1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methanesulfonamido)ethylamino]-2-oxoacetate is sourced from PubChem (CID 60893571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).