4-(tert-butylsulfamoyl)butyl acetate

C10H21NO4S — CID 22484967

IUPAC4-(tert-butylsulfamoyl)butyl acetate
SMILESCC(=O)OCCCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO4S/c1-9(12)15-7-5-6-8-16(13,14)11-10(2,3)4/h11H,5-8H2,1-4H3
InChIKeyXBRVQHOTUSXVOG-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.05
Rot. Bonds6

About 4-(tert-butylsulfamoyl)butyl acetate

4-(tert-butylsulfamoyl)butyl acetate (PubChem CID 22484967) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)butyl acetate.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)butyl acetate
PubChem CID22484967
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name4-(tert-butylsulfamoyl)butyl acetate
SMILESCC(=O)OCCCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO4S/c1-9(12)15-7-5-6-8-16(13,14)11-10(2,3)4/h11H,5-8H2,1-4H3
InChIKeyXBRVQHOTUSXVOG-UHFFFAOYSA-N
XLogP1.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)butyl acetate?
The IUPAC name of 4-(tert-butylsulfamoyl)butyl acetate (CID 22484967) is 4-(tert-butylsulfamoyl)butyl acetate.
What is the SMILES notation for 4-(tert-butylsulfamoyl)butyl acetate?
The canonical SMILES for 4-(tert-butylsulfamoyl)butyl acetate is CC(=O)OCCCCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 4-(tert-butylsulfamoyl)butyl acetate?
The InChIKey is XBRVQHOTUSXVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-9(12)15-7-5-6-8-16(13,14)11-10(2,3)4/h11H,5-8H2,1-4H3.
What are the key properties of 4-(tert-butylsulfamoyl)butyl acetate?
4-(tert-butylsulfamoyl)butyl acetate has a molecular weight of 251.35 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)butyl acetate is sourced from PubChem (CID 22484967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).