ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate

C8H18N2O4S — CID 167520487

IUPACethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate
SMILESCCOC(=O)CCN(C)CCS(N)(=O)=O
InChIInChI=1S/C8H18N2O4S/c1-3-14-8(11)4-5-10(2)6-7-15(9,12)13/h3-7H2,1-2H3,(H2,9,12,13)
InChIKeyLBORSHGCAQSOEC-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.84
Rot. Bonds7

About ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate

ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate (PubChem CID 167520487) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate
PubChem CID167520487
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Nameethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate
SMILESCCOC(=O)CCN(C)CCS(N)(=O)=O
InChIInChI=1S/C8H18N2O4S/c1-3-14-8(11)4-5-10(2)6-7-15(9,12)13/h3-7H2,1-2H3,(H2,9,12,13)
InChIKeyLBORSHGCAQSOEC-UHFFFAOYSA-N
XLogP-0.84
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate (CID 167520487) is ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate is CCOC(=O)CCN(C)CCS(N)(=O)=O.
What is the InChIKey of ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate?
The InChIKey is LBORSHGCAQSOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-3-14-8(11)4-5-10(2)6-7-15(9,12)13/h3-7H2,1-2H3,(H2,9,12,13).
What are the key properties of ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate?
ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate has a molecular weight of 238.31 g/mol, XLogP of -0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate is sourced from PubChem (CID 167520487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).