methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride

C5H13ClN2O4S — CID 145433285

IUPACmethyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride
SMILESCOC(=O)CNS(=O)(=O)CCN.Cl
InChIInChI=1S/C5H12N2O4S.ClH/c1-11-5(8)4-7-12(9,10)3-2-6;/h7H,2-4,6H2,1H3;1H
InChIKeyPNIJBJGEWQNUDT-UHFFFAOYSA-N
MW232.69 g/mol
LogP-1.54
Rot. Bonds5

About methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride

methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride (PubChem CID 145433285) has the molecular formula C5H13ClN2O4S and a molecular weight of 232.69 g/mol. Its IUPAC name is methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride
PubChem CID145433285
Molecular FormulaC5H13ClN2O4S
Molecular Weight232.69 g/mol
Exact Mass232.03
IUPAC Namemethyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride
SMILESCOC(=O)CNS(=O)(=O)CCN.Cl
InChIInChI=1S/C5H12N2O4S.ClH/c1-11-5(8)4-7-12(9,10)3-2-6;/h7H,2-4,6H2,1H3;1H
InChIKeyPNIJBJGEWQNUDT-UHFFFAOYSA-N
XLogP-1.54
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride?
The IUPAC name of methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride (CID 145433285) is methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride?
The canonical SMILES for methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride is COC(=O)CNS(=O)(=O)CCN.Cl.
What is the InChIKey of methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride?
The InChIKey is PNIJBJGEWQNUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S.ClH/c1-11-5(8)4-7-12(9,10)3-2-6;/h7H,2-4,6H2,1H3;1H.
What are the key properties of methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride?
methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride has a molecular weight of 232.69 g/mol, XLogP of -1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminoethylsulfonylamino)acetate;hydrochloride is sourced from PubChem (CID 145433285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).