ethyl 4-(tert-butylsulfamoylamino)butanoate

C10H22N2O4S — CID 104538408

IUPACethyl 4-(tert-butylsulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-16-9(13)7-6-8-11-17(14,15)12-10(2,3)4/h11-12H,5-8H2,1-4H3
InChIKeyWFWBSBNMTBEZHJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.55
Rot. Bonds7

About ethyl 4-(tert-butylsulfamoylamino)butanoate

ethyl 4-(tert-butylsulfamoylamino)butanoate (PubChem CID 104538408) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is ethyl 4-(tert-butylsulfamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(tert-butylsulfamoylamino)butanoate
PubChem CID104538408
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Nameethyl 4-(tert-butylsulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-16-9(13)7-6-8-11-17(14,15)12-10(2,3)4/h11-12H,5-8H2,1-4H3
InChIKeyWFWBSBNMTBEZHJ-UHFFFAOYSA-N
XLogP0.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-(tert-butylsulfamoylamino)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

1-Ethoxy-1-oxo-4-(sulfinatoamino)butane
CID 91294709
Tert-butyl 4-(3-aminopropylsulfamoylamino)butanoate
CID 118426392
Ethyl 4-(dimethylsulfamoylamino)butanoate
CID 60433931
Ethyl 4-(diethylsulfamoylamino)butanoate
CID 60713818
Ethyl 4-(dipropylsulfamoylamino)butanoate
CID 60751025
Ethyl 4-(cyclopropylsulfamoylamino)butanoate
CID 104538409
Ethyl 4-(sulfamoylamino)butanoate
CID 112684052
Methyl 4-(sulfamoylamino)butanoate
CID 112684103
Ethyl 4-(ethoxycarbonylsulfamoylamino)butanoate
CID 114465524
4-(Tert-butylsulfamoylamino)butanoic acid
CID 114805172
Methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate
CID 114811560
Ethyl 3-(tert-butylsulfamoylamino)propanoate
CID 114811568

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(tert-butylsulfamoylamino)butanoate?
The IUPAC name of ethyl 4-(tert-butylsulfamoylamino)butanoate (CID 104538408) is ethyl 4-(tert-butylsulfamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(tert-butylsulfamoylamino)butanoate?
The canonical SMILES for ethyl 4-(tert-butylsulfamoylamino)butanoate is CCOC(=O)CCCNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of ethyl 4-(tert-butylsulfamoylamino)butanoate?
The InChIKey is WFWBSBNMTBEZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-16-9(13)7-6-8-11-17(14,15)12-10(2,3)4/h11-12H,5-8H2,1-4H3.
What are the key properties of ethyl 4-(tert-butylsulfamoylamino)butanoate?
ethyl 4-(tert-butylsulfamoylamino)butanoate has a molecular weight of 266.36 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(tert-butylsulfamoylamino)butanoate is sourced from PubChem (CID 104538408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).