propyl 3-(dipropylsulfamoyl)propanoate

C12H25NO4S — CID 90858425

IUPACpropyl 3-(dipropylsulfamoyl)propanoate
SMILESCCCOC(=O)CCS(=O)(=O)N(CCC)CCC
InChIInChI=1S/C12H25NO4S/c1-4-8-13(9-5-2)18(15,16)11-7-12(14)17-10-6-3/h4-11H2,1-3H3
InChIKeyOAOWMYHTLHNULX-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.78
Rot. Bonds10

About propyl 3-(dipropylsulfamoyl)propanoate

propyl 3-(dipropylsulfamoyl)propanoate (PubChem CID 90858425) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is propyl 3-(dipropylsulfamoyl)propanoate.

Molecular Properties

Compound Namepropyl 3-(dipropylsulfamoyl)propanoate
PubChem CID90858425
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Namepropyl 3-(dipropylsulfamoyl)propanoate
SMILESCCCOC(=O)CCS(=O)(=O)N(CCC)CCC
InChIInChI=1S/C12H25NO4S/c1-4-8-13(9-5-2)18(15,16)11-7-12(14)17-10-6-3/h4-11H2,1-3H3
InChIKeyOAOWMYHTLHNULX-UHFFFAOYSA-N
XLogP1.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 3-(dipropylsulfamoyl)propanoate?
The IUPAC name of propyl 3-(dipropylsulfamoyl)propanoate (CID 90858425) is propyl 3-(dipropylsulfamoyl)propanoate.
What is the SMILES notation for propyl 3-(dipropylsulfamoyl)propanoate?
The canonical SMILES for propyl 3-(dipropylsulfamoyl)propanoate is CCCOC(=O)CCS(=O)(=O)N(CCC)CCC.
What is the InChIKey of propyl 3-(dipropylsulfamoyl)propanoate?
The InChIKey is OAOWMYHTLHNULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-4-8-13(9-5-2)18(15,16)11-7-12(14)17-10-6-3/h4-11H2,1-3H3.
What are the key properties of propyl 3-(dipropylsulfamoyl)propanoate?
propyl 3-(dipropylsulfamoyl)propanoate has a molecular weight of 279.40 g/mol, XLogP of 1.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(dipropylsulfamoyl)propanoate is sourced from PubChem (CID 90858425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).