4-(tert-butylsulfamoylamino)butanoic acid

C8H18N2O4S — CID 114805172

IUPAC4-(tert-butylsulfamoylamino)butanoic acid
SMILESCC(C)(C)NS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-8(2,3)10-15(13,14)9-6-4-5-7(11)12/h9-10H,4-6H2,1-3H3,(H,11,12)
InChIKeyCBTXNPTUQSVCCA-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.07
Rot. Bonds6

About 4-(tert-butylsulfamoylamino)butanoic acid

4-(tert-butylsulfamoylamino)butanoic acid (PubChem CID 114805172) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-(tert-butylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(tert-butylsulfamoylamino)butanoic acid
PubChem CID114805172
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name4-(tert-butylsulfamoylamino)butanoic acid
SMILESCC(C)(C)NS(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-8(2,3)10-15(13,14)9-6-4-5-7(11)12/h9-10H,4-6H2,1-3H3,(H,11,12)
InChIKeyCBTXNPTUQSVCCA-UHFFFAOYSA-N
XLogP0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(tert-butylsulfamoylamino)butanoic acid 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 4-(tert-butylsulfamoylamino)butanoic acid?
The IUPAC name of 4-(tert-butylsulfamoylamino)butanoic acid (CID 114805172) is 4-(tert-butylsulfamoylamino)butanoic acid.
What is the SMILES notation for 4-(tert-butylsulfamoylamino)butanoic acid?
The canonical SMILES for 4-(tert-butylsulfamoylamino)butanoic acid is CC(C)(C)NS(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-(tert-butylsulfamoylamino)butanoic acid?
The InChIKey is CBTXNPTUQSVCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-8(2,3)10-15(13,14)9-6-4-5-7(11)12/h9-10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 4-(tert-butylsulfamoylamino)butanoic acid?
4-(tert-butylsulfamoylamino)butanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114805172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).