ethyl 2-(dipropylsulfamoylamino)propanoate

C11H24N2O4S — CID 54960352

IUPACethyl 2-(dipropylsulfamoylamino)propanoate
SMILESCCCN(CCC)S(=O)(=O)NC(C)C(=O)OCC
InChIInChI=1S/C11H24N2O4S/c1-5-8-13(9-6-2)18(15,16)12-10(4)11(14)17-7-3/h10,12H,5-9H2,1-4H3
InChIKeyBUBSWTAJNQELDV-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.89
Rot. Bonds9

About ethyl 2-(dipropylsulfamoylamino)propanoate

ethyl 2-(dipropylsulfamoylamino)propanoate (PubChem CID 54960352) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is ethyl 2-(dipropylsulfamoylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(dipropylsulfamoylamino)propanoate
PubChem CID54960352
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Nameethyl 2-(dipropylsulfamoylamino)propanoate
SMILESCCCN(CCC)S(=O)(=O)NC(C)C(=O)OCC
InChIInChI=1S/C11H24N2O4S/c1-5-8-13(9-6-2)18(15,16)12-10(4)11(14)17-7-3/h10,12H,5-9H2,1-4H3
InChIKeyBUBSWTAJNQELDV-UHFFFAOYSA-N
XLogP0.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(dipropylsulfamoylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dipropylsulfamoylamino)propanoate?
The IUPAC name of ethyl 2-(dipropylsulfamoylamino)propanoate (CID 54960352) is ethyl 2-(dipropylsulfamoylamino)propanoate.
What is the SMILES notation for ethyl 2-(dipropylsulfamoylamino)propanoate?
The canonical SMILES for ethyl 2-(dipropylsulfamoylamino)propanoate is CCCN(CCC)S(=O)(=O)NC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(dipropylsulfamoylamino)propanoate?
The InChIKey is BUBSWTAJNQELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-5-8-13(9-6-2)18(15,16)12-10(4)11(14)17-7-3/h10,12H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(dipropylsulfamoylamino)propanoate?
ethyl 2-(dipropylsulfamoylamino)propanoate has a molecular weight of 280.39 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dipropylsulfamoylamino)propanoate is sourced from PubChem (CID 54960352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).