methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate

C11H24N2O4S — CID 54899559

IUPACmethyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate
SMILESCCCCN(C)S(=O)(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C11H24N2O4S/c1-5-7-9-12(3)18(15,16)13(6-2)10-8-11(14)17-4/h5-10H2,1-4H3
InChIKeyLIJZZIPNNZDPOY-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.85
Rot. Bonds9

About methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate

methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate (PubChem CID 54899559) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate
PubChem CID54899559
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Namemethyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate
SMILESCCCCN(C)S(=O)(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C11H24N2O4S/c1-5-7-9-12(3)18(15,16)13(6-2)10-8-11(14)17-4/h5-10H2,1-4H3
InChIKeyLIJZZIPNNZDPOY-UHFFFAOYSA-N
XLogP0.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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 methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate?
The IUPAC name of methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate (CID 54899559) is methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate?
The canonical SMILES for methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate is CCCCN(C)S(=O)(=O)N(CC)CCC(=O)OC.
What is the InChIKey of methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate?
The InChIKey is LIJZZIPNNZDPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-5-7-9-12(3)18(15,16)13(6-2)10-8-11(14)17-4/h5-10H2,1-4H3.
What are the key properties of methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate?
methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate has a molecular weight of 280.39 g/mol, XLogP of 0.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanoate is sourced from PubChem (CID 54899559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).