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

C7H16N2O4S — CID 43546003

IUPACethyl 2-[2-(methanesulfonamido)ethylamino]acetate
SMILESCCOC(=O)CNCCNS(C)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-3-13-7(10)6-8-4-5-9-14(2,11)12/h8-9H,3-6H2,1-2H3
InChIKeyFHSJYPMEEVIQIS-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.31
Rot. Bonds7

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

ethyl 2-[2-(methanesulfonamido)ethylamino]acetate (PubChem CID 43546003) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is ethyl 2-[2-(methanesulfonamido)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(methanesulfonamido)ethylamino]acetate
PubChem CID43546003
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Nameethyl 2-[2-(methanesulfonamido)ethylamino]acetate
SMILESCCOC(=O)CNCCNS(C)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-3-13-7(10)6-8-4-5-9-14(2,11)12/h8-9H,3-6H2,1-2H3
InChIKeyFHSJYPMEEVIQIS-UHFFFAOYSA-N
XLogP-1.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methanesulfonamido)ethylamino]acetate?
The IUPAC name of ethyl 2-[2-(methanesulfonamido)ethylamino]acetate (CID 43546003) is ethyl 2-[2-(methanesulfonamido)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(methanesulfonamido)ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-(methanesulfonamido)ethylamino]acetate is CCOC(=O)CNCCNS(C)(=O)=O.
What is the InChIKey of ethyl 2-[2-(methanesulfonamido)ethylamino]acetate?
The InChIKey is FHSJYPMEEVIQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-3-13-7(10)6-8-4-5-9-14(2,11)12/h8-9H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[2-(methanesulfonamido)ethylamino]acetate?
ethyl 2-[2-(methanesulfonamido)ethylamino]acetate has a molecular weight of 224.28 g/mol, XLogP of -1.31, 7 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]acetate is sourced from PubChem (CID 43546003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).