methyl 2-(2-hydroxyethylsulfonylamino)acetate

C5H11NO5S — CID 79588455

IUPACmethyl 2-(2-hydroxyethylsulfonylamino)acetate
SMILESCOC(=O)CNS(=O)(=O)CCO
InChIInChI=1S/C5H11NO5S/c1-11-5(8)4-6-12(9,10)3-2-7/h6-7H,2-4H2,1H3
InChIKeyIHAKMZXOORBFIJ-UHFFFAOYSA-N
MW197.21 g/mol
LogP-1.93
Rot. Bonds5

About methyl 2-(2-hydroxyethylsulfonylamino)acetate

methyl 2-(2-hydroxyethylsulfonylamino)acetate (PubChem CID 79588455) has the molecular formula C5H11NO5S and a molecular weight of 197.21 g/mol. Its IUPAC name is methyl 2-(2-hydroxyethylsulfonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyethylsulfonylamino)acetate
PubChem CID79588455
Molecular FormulaC5H11NO5S
Molecular Weight197.21 g/mol
Exact Mass197.04
IUPAC Namemethyl 2-(2-hydroxyethylsulfonylamino)acetate
SMILESCOC(=O)CNS(=O)(=O)CCO
InChIInChI=1S/C5H11NO5S/c1-11-5(8)4-6-12(9,10)3-2-7/h6-7H,2-4H2,1H3
InChIKeyIHAKMZXOORBFIJ-UHFFFAOYSA-N
XLogP-1.93
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(2-hydroxyethylsulfonylamino)acetamide
CID 115356606
methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 54952641
N-cyclopropyl-2-(2-hydroxyethylsulfonylamino)acetamide
CID 79588879
methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
CID 43257168
methyl 2-[(dimethylaminosulfonimidoyl)amino]acetate
CID 139026402
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate
CID 43423382
methyl 2-(3-methylsulfonylpropanoylamino)acetate
CID 43623270
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
methyl 2-(methylsulfamoyl)acetate
CID 61360320
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
methyl 3-(3-hydroxybutylsulfamoyl)propanoate
CID 64912074

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxyethylsulfonylamino)acetate?
The IUPAC name of methyl 2-(2-hydroxyethylsulfonylamino)acetate (CID 79588455) is methyl 2-(2-hydroxyethylsulfonylamino)acetate.
What is the SMILES notation for methyl 2-(2-hydroxyethylsulfonylamino)acetate?
The canonical SMILES for methyl 2-(2-hydroxyethylsulfonylamino)acetate is COC(=O)CNS(=O)(=O)CCO.
What is the InChIKey of methyl 2-(2-hydroxyethylsulfonylamino)acetate?
The InChIKey is IHAKMZXOORBFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5S/c1-11-5(8)4-6-12(9,10)3-2-7/h6-7H,2-4H2,1H3.
What are the key properties of methyl 2-(2-hydroxyethylsulfonylamino)acetate?
methyl 2-(2-hydroxyethylsulfonylamino)acetate has a molecular weight of 197.21 g/mol, XLogP of -1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyethylsulfonylamino)acetate is sourced from PubChem (CID 79588455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).