ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate

C12H26N2O4S — CID 54898485

IUPACethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate
SMILESCCCCN(C)S(=O)(=O)N(CCC)CC(=O)OCC
InChIInChI=1S/C12H26N2O4S/c1-5-8-10-13(4)19(16,17)14(9-6-2)11-12(15)18-7-3/h5-11H2,1-4H3
InChIKeyGPYDETLJOMAPIF-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.24
Rot. Bonds10

About ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate

ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate (PubChem CID 54898485) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate
PubChem CID54898485
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Nameethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate
SMILESCCCCN(C)S(=O)(=O)N(CCC)CC(=O)OCC
InChIInChI=1S/C12H26N2O4S/c1-5-8-10-13(4)19(16,17)14(9-6-2)11-12(15)18-7-3/h5-11H2,1-4H3
InChIKeyGPYDETLJOMAPIF-UHFFFAOYSA-N
XLogP1.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate (CID 54898485) is ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate is CCCCN(C)S(=O)(=O)N(CCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate?
The InChIKey is GPYDETLJOMAPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-5-8-10-13(4)19(16,17)14(9-6-2)11-12(15)18-7-3/h5-11H2,1-4H3.
What are the key properties of ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate?
ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate has a molecular weight of 294.42 g/mol, XLogP of 1.24, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[butyl(methyl)sulfamoyl]-propylamino]acetate is sourced from PubChem (CID 54898485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).