ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate

C11H24N2O4S — CID 54900806

IUPACethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)N(CC)CC
InChIInChI=1S/C11H24N2O4S/c1-6-12(7-2)18(15,16)13(10(4)5)9-11(14)17-8-3/h10H,6-9H2,1-5H3
InChIKeyOQOWABMDKBSZMX-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.85
Rot. Bonds8

About ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate

ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate (PubChem CID 54900806) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate
PubChem CID54900806
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Nameethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)N(CC)CC
InChIInChI=1S/C11H24N2O4S/c1-6-12(7-2)18(15,16)13(10(4)5)9-11(14)17-8-3/h10H,6-9H2,1-5H3
InChIKeyOQOWABMDKBSZMX-UHFFFAOYSA-N
XLogP0.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate (CID 54900806) is ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)N(CC)CC.
What is the InChIKey of ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate?
The InChIKey is OQOWABMDKBSZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-6-12(7-2)18(15,16)13(10(4)5)9-11(14)17-8-3/h10H,6-9H2,1-5H3.
What are the key properties of ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate?
ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate has a molecular weight of 280.39 g/mol, XLogP of 0.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[diethylsulfamoyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 54900806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).