methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate

C10H22N2O4S — CID 54899750

IUPACmethyl 3-[diethylsulfamoyl(ethyl)amino]propanoate
SMILESCCN(CC)S(=O)(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-5-11(6-2)17(14,15)12(7-3)9-8-10(13)16-4/h5-9H2,1-4H3
InChIKeyXPUGXNLHXFQVLK-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.46
Rot. Bonds8

About methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate

methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate (PubChem CID 54899750) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[diethylsulfamoyl(ethyl)amino]propanoate
PubChem CID54899750
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 3-[diethylsulfamoyl(ethyl)amino]propanoate
SMILESCCN(CC)S(=O)(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-5-11(6-2)17(14,15)12(7-3)9-8-10(13)16-4/h5-9H2,1-4H3
InChIKeyXPUGXNLHXFQVLK-UHFFFAOYSA-N
XLogP0.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate?
The IUPAC name of methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate (CID 54899750) is methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate?
The canonical SMILES for methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate is CCN(CC)S(=O)(=O)N(CC)CCC(=O)OC.
What is the InChIKey of methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate?
The InChIKey is XPUGXNLHXFQVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-11(6-2)17(14,15)12(7-3)9-8-10(13)16-4/h5-9H2,1-4H3.
What are the key properties of methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate?
methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate has a molecular weight of 266.36 g/mol, XLogP of 0.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[diethylsulfamoyl(ethyl)amino]propanoate is sourced from PubChem (CID 54899750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).