ethyl 4-(diethylsulfamoylamino)butanoate

C10H22N2O4S — CID 60713818

IUPACethyl 4-(diethylsulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)N(CC)CC
InChIInChI=1S/C10H22N2O4S/c1-4-12(5-2)17(14,15)11-9-7-8-10(13)16-6-3/h11H,4-9H2,1-3H3
InChIKeyGEMBFNCRVKPKEX-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.51
Rot. Bonds9

About ethyl 4-(diethylsulfamoylamino)butanoate

ethyl 4-(diethylsulfamoylamino)butanoate (PubChem CID 60713818) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is ethyl 4-(diethylsulfamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(diethylsulfamoylamino)butanoate
PubChem CID60713818
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Nameethyl 4-(diethylsulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)N(CC)CC
InChIInChI=1S/C10H22N2O4S/c1-4-12(5-2)17(14,15)11-9-7-8-10(13)16-6-3/h11H,4-9H2,1-3H3
InChIKeyGEMBFNCRVKPKEX-UHFFFAOYSA-N
XLogP0.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 263044
1-Ethoxy-1-oxo-4-(sulfinatoamino)butane
CID 91294709
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619
Ethyl 4-(azepan-1-ylsulfonylamino)butanoate
CID 51075371
Methyl 4-[diethylsulfamoyl(methyl)amino]butanoate
CID 54940539
Methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate
CID 54942529
Ethyl 4-(dimethylsulfamoylamino)butanoate
CID 60433931
Methyl 4-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 60696484
Ethyl 4-(morpholin-4-ylsulfonylamino)butanoate
CID 60714198
Ethyl 4-(piperidin-1-ylsulfonylamino)butanoate
CID 60723963
Ethyl 4-(pyrrolidin-1-ylsulfonylamino)butanoate
CID 60723964
Ethyl 4-(dipropylsulfamoylamino)butanoate
CID 60751025

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diethylsulfamoylamino)butanoate?
The IUPAC name of ethyl 4-(diethylsulfamoylamino)butanoate (CID 60713818) is ethyl 4-(diethylsulfamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(diethylsulfamoylamino)butanoate?
The canonical SMILES for ethyl 4-(diethylsulfamoylamino)butanoate is CCOC(=O)CCCNS(=O)(=O)N(CC)CC.
What is the InChIKey of ethyl 4-(diethylsulfamoylamino)butanoate?
The InChIKey is GEMBFNCRVKPKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-12(5-2)17(14,15)11-9-7-8-10(13)16-6-3/h11H,4-9H2,1-3H3.
What are the key properties of ethyl 4-(diethylsulfamoylamino)butanoate?
ethyl 4-(diethylsulfamoylamino)butanoate has a molecular weight of 266.36 g/mol, XLogP of 0.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diethylsulfamoylamino)butanoate is sourced from PubChem (CID 60713818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).