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

C6H14N2O4S — CID 43546004

IUPACmethyl 2-[2-(methanesulfonamido)ethylamino]acetate
SMILESCOC(=O)CNCCNS(C)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-12-6(9)5-7-3-4-8-13(2,10)11/h7-8H,3-5H2,1-2H3
InChIKeyCQPCFLPIYCQZKZ-UHFFFAOYSA-N
MW210.25 g/mol
LogP-1.70
Rot. Bonds6

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

methyl 2-[2-(methanesulfonamido)ethylamino]acetate (PubChem CID 43546004) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is methyl 2-[2-(methanesulfonamido)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(methanesulfonamido)ethylamino]acetate
PubChem CID43546004
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Namemethyl 2-[2-(methanesulfonamido)ethylamino]acetate
SMILESCOC(=O)CNCCNS(C)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-12-6(9)5-7-3-4-8-13(2,10)11/h7-8H,3-5H2,1-2H3
InChIKeyCQPCFLPIYCQZKZ-UHFFFAOYSA-N
XLogP-1.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.70
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 methyl 2-[2-(methanesulfonamido)ethylamino]acetate?
The IUPAC name of methyl 2-[2-(methanesulfonamido)ethylamino]acetate (CID 43546004) is methyl 2-[2-(methanesulfonamido)ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-(methanesulfonamido)ethylamino]acetate?
The canonical SMILES for methyl 2-[2-(methanesulfonamido)ethylamino]acetate is COC(=O)CNCCNS(C)(=O)=O.
What is the InChIKey of methyl 2-[2-(methanesulfonamido)ethylamino]acetate?
The InChIKey is CQPCFLPIYCQZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-12-6(9)5-7-3-4-8-13(2,10)11/h7-8H,3-5H2,1-2H3.
What are the key properties of methyl 2-[2-(methanesulfonamido)ethylamino]acetate?
methyl 2-[2-(methanesulfonamido)ethylamino]acetate has a molecular weight of 210.25 g/mol, XLogP of -1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(methanesulfonamido)ethylamino]acetate is sourced from PubChem (CID 43546004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).