methyl 3-(ethylsulfonylamino)propanoate

C6H13NO4S — CID 60650381

IUPACmethyl 3-(ethylsulfonylamino)propanoate
SMILESCCS(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C6H13NO4S/c1-3-12(9,10)7-5-4-6(8)11-2/h7H,3-5H2,1-2H3
InChIKeyQAMYPYVEHHNYJR-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.51
Rot. Bonds5

About methyl 3-(ethylsulfonylamino)propanoate

methyl 3-(ethylsulfonylamino)propanoate (PubChem CID 60650381) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl 3-(ethylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(ethylsulfonylamino)propanoate
PubChem CID60650381
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Namemethyl 3-(ethylsulfonylamino)propanoate
SMILESCCS(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C6H13NO4S/c1-3-12(9,10)7-5-4-6(8)11-2/h7H,3-5H2,1-2H3
InChIKeyQAMYPYVEHHNYJR-UHFFFAOYSA-N
XLogP-0.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylsulfonylamino)propanoate?
The IUPAC name of methyl 3-(ethylsulfonylamino)propanoate (CID 60650381) is methyl 3-(ethylsulfonylamino)propanoate.
What is the SMILES notation for methyl 3-(ethylsulfonylamino)propanoate?
The canonical SMILES for methyl 3-(ethylsulfonylamino)propanoate is CCS(=O)(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-(ethylsulfonylamino)propanoate?
The InChIKey is QAMYPYVEHHNYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-3-12(9,10)7-5-4-6(8)11-2/h7H,3-5H2,1-2H3.
What are the key properties of methyl 3-(ethylsulfonylamino)propanoate?
methyl 3-(ethylsulfonylamino)propanoate has a molecular weight of 195.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylsulfonylamino)propanoate is sourced from PubChem (CID 60650381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).