4-(ethylsulfamoyl)butyl acetate

C8H17NO4S — CID 87403909

IUPAC4-(ethylsulfamoyl)butyl acetate
SMILESCCNS(=O)(=O)CCCCOC(C)=O
InChIInChI=1S/C8H17NO4S/c1-3-9-14(11,12)7-5-4-6-13-8(2)10/h9H,3-7H2,1-2H3
InChIKeyWOGMTIZMJOPXPX-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.27
Rot. Bonds7

About 4-(ethylsulfamoyl)butyl acetate

4-(ethylsulfamoyl)butyl acetate (PubChem CID 87403909) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(ethylsulfamoyl)butyl acetate.

Molecular Properties

Compound Name4-(ethylsulfamoyl)butyl acetate
PubChem CID87403909
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name4-(ethylsulfamoyl)butyl acetate
SMILESCCNS(=O)(=O)CCCCOC(C)=O
InChIInChI=1S/C8H17NO4S/c1-3-9-14(11,12)7-5-4-6-13-8(2)10/h9H,3-7H2,1-2H3
InChIKeyWOGMTIZMJOPXPX-UHFFFAOYSA-N
XLogP0.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(ethylsulfamoyl)butyl acetate 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

2-oxo-N-pentyloxolane-3-sulfonamide
CID 56935708
N-butyl-2-oxooxolane-3-sulfonamide
CID 57392802
Ethyl 2-(butylsulfonylamino)acetate
CID 19681626
Methyl 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]butanoate
CID 55259913
Methyl 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]butanoate
CID 103081882
3-acetoxy-N-methyl-1-propanesulfonamide
CID 18988120
ethyl-2-(N-tert-butylsulfamoyl)acetate
CID 19833529
N-tert-butyl-4-acetoxybutanesulfonamide
CID 22484967
3-(Ethylsulfamoyl)propyl 2,2-dimethylbutanoate
CID 23518154
2-Trimethylsilylethyl 2-(ethylsulfamoyl)acetate
CID 23564131
Ethyl 2-(butylsulfonylamino)propanoate
CID 55029020
Propan-2-yl 4-(propan-2-ylsulfonylamino)butanoate
CID 57998711

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoyl)butyl acetate?
The IUPAC name of 4-(ethylsulfamoyl)butyl acetate (CID 87403909) is 4-(ethylsulfamoyl)butyl acetate.
What is the SMILES notation for 4-(ethylsulfamoyl)butyl acetate?
The canonical SMILES for 4-(ethylsulfamoyl)butyl acetate is CCNS(=O)(=O)CCCCOC(C)=O.
What is the InChIKey of 4-(ethylsulfamoyl)butyl acetate?
The InChIKey is WOGMTIZMJOPXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-3-9-14(11,12)7-5-4-6-13-8(2)10/h9H,3-7H2,1-2H3.
What are the key properties of 4-(ethylsulfamoyl)butyl acetate?
4-(ethylsulfamoyl)butyl acetate has a molecular weight of 223.29 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoyl)butyl acetate is sourced from PubChem (CID 87403909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).