3-(methylsulfamoyl)propyl acetate

C6H13NO4S — CID 18988120

IUPAC3-(methylsulfamoyl)propyl acetate
SMILESCNS(=O)(=O)CCCOC(C)=O
InChIInChI=1S/C6H13NO4S/c1-6(8)11-4-3-5-12(9,10)7-2/h7H,3-5H2,1-2H3
InChIKeyQJZUZOIOHQXJOI-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.51
Rot. Bonds5

About 3-(methylsulfamoyl)propyl acetate

3-(methylsulfamoyl)propyl acetate (PubChem CID 18988120) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(methylsulfamoyl)propyl acetate.

Molecular Properties

Compound Name3-(methylsulfamoyl)propyl acetate
PubChem CID18988120
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name3-(methylsulfamoyl)propyl acetate
SMILESCNS(=O)(=O)CCCOC(C)=O
InChIInChI=1S/C6H13NO4S/c1-6(8)11-4-3-5-12(9,10)7-2/h7H,3-5H2,1-2H3
InChIKeyQJZUZOIOHQXJOI-UHFFFAOYSA-N
XLogP-0.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.51
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 3-(methylsulfamoyl)propyl acetate?
The IUPAC name of 3-(methylsulfamoyl)propyl acetate (CID 18988120) is 3-(methylsulfamoyl)propyl acetate.
What is the SMILES notation for 3-(methylsulfamoyl)propyl acetate?
The canonical SMILES for 3-(methylsulfamoyl)propyl acetate is CNS(=O)(=O)CCCOC(C)=O.
What is the InChIKey of 3-(methylsulfamoyl)propyl acetate?
The InChIKey is QJZUZOIOHQXJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-6(8)11-4-3-5-12(9,10)7-2/h7H,3-5H2,1-2H3.
What are the key properties of 3-(methylsulfamoyl)propyl acetate?
3-(methylsulfamoyl)propyl acetate has a molecular weight of 195.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoyl)propyl acetate is sourced from PubChem (CID 18988120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).