methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate

C12H26N2O4S — CID 54899697

IUPACmethyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate
SMILESCCCN(CCC)S(=O)(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C12H26N2O4S/c1-5-9-14(10-6-2)19(16,17)13(7-3)11-8-12(15)18-4/h5-11H2,1-4H3
InChIKeyTYKRJSHQZHDUNJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.24
Rot. Bonds10

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

methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate (PubChem CID 54899697) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate
PubChem CID54899697
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Namemethyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate
SMILESCCCN(CCC)S(=O)(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C12H26N2O4S/c1-5-9-14(10-6-2)19(16,17)13(7-3)11-8-12(15)18-4/h5-11H2,1-4H3
InChIKeyTYKRJSHQZHDUNJ-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 methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate?
The IUPAC name of methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate (CID 54899697) is methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate?
The canonical SMILES for methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate is CCCN(CCC)S(=O)(=O)N(CC)CCC(=O)OC.
What is the InChIKey of methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate?
The InChIKey is TYKRJSHQZHDUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-5-9-14(10-6-2)19(16,17)13(7-3)11-8-12(15)18-4/h5-11H2,1-4H3.
What are the key properties of methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate?
methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate 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 methyl 3-[dipropylsulfamoyl(ethyl)amino]propanoate is sourced from PubChem (CID 54899697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).