ethyl 4-(2-methoxyethylsulfamoylamino)butanoate

C9H20N2O5S — CID 114816347

IUPACethyl 4-(2-methoxyethylsulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)NCCOC
InChIInChI=1S/C9H20N2O5S/c1-3-16-9(12)5-4-6-10-17(13,14)11-7-8-15-2/h10-11H,3-8H2,1-2H3
InChIKeyDFJIKIMJUUPAIB-UHFFFAOYSA-N
MW268.33 g/mol
LogP-0.60
Rot. Bonds10

About ethyl 4-(2-methoxyethylsulfamoylamino)butanoate

ethyl 4-(2-methoxyethylsulfamoylamino)butanoate (PubChem CID 114816347) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethylsulfamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethylsulfamoylamino)butanoate
PubChem CID114816347
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Nameethyl 4-(2-methoxyethylsulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)NCCOC
InChIInChI=1S/C9H20N2O5S/c1-3-16-9(12)5-4-6-10-17(13,14)11-7-8-15-2/h10-11H,3-8H2,1-2H3
InChIKeyDFJIKIMJUUPAIB-UHFFFAOYSA-N
XLogP-0.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-(2-methoxyethylsulfamoylamino)butanoate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 4-(2,2,2-trifluoroethylsulfamoylamino)butanoate
CID 114811585
Butyl 4-amino-2-thionitrosobutanoate
CID 54491551
1-Ethoxy-1-oxo-4-(sulfinatoamino)butane
CID 91294709
2-[2-(4-Aminobutanoylsulfamoylamino)ethoxy]ethyl acetate;molecular hydrogen
CID 145350543
Ethyl 2-aminoacetate;propyl 4-aminobutanoate
CID 153354059
Methyl 2-aminoacetate;methyl 4-aminobutanoate
CID 174722954
Ethyl 4-(dimethylsulfamoylamino)butanoate
CID 60433931
Ethyl 4-(diethylsulfamoylamino)butanoate
CID 60713818
Ethyl 4-(morpholin-4-ylsulfonylamino)butanoate
CID 60714198
Ethyl 4-(dipropylsulfamoylamino)butanoate
CID 60751025
Ethyl 4-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]butanoate
CID 65683844
Ethyl 4-(tert-butylsulfamoylamino)butanoate
CID 104538408

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethylsulfamoylamino)butanoate?
The IUPAC name of ethyl 4-(2-methoxyethylsulfamoylamino)butanoate (CID 114816347) is ethyl 4-(2-methoxyethylsulfamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(2-methoxyethylsulfamoylamino)butanoate?
The canonical SMILES for ethyl 4-(2-methoxyethylsulfamoylamino)butanoate is CCOC(=O)CCCNS(=O)(=O)NCCOC.
What is the InChIKey of ethyl 4-(2-methoxyethylsulfamoylamino)butanoate?
The InChIKey is DFJIKIMJUUPAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S/c1-3-16-9(12)5-4-6-10-17(13,14)11-7-8-15-2/h10-11H,3-8H2,1-2H3.
What are the key properties of ethyl 4-(2-methoxyethylsulfamoylamino)butanoate?
ethyl 4-(2-methoxyethylsulfamoylamino)butanoate has a molecular weight of 268.33 g/mol, XLogP of -0.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethylsulfamoylamino)butanoate is sourced from PubChem (CID 114816347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).