methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate

C11H23NO4S — CID 103460357

IUPACmethyl 4-(2,2-dimethylbutylsulfamoyl)butanoate
SMILESCCC(C)(C)CNS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C11H23NO4S/c1-5-11(2,3)9-12-17(14,15)8-6-7-10(13)16-4/h12H,5-9H2,1-4H3
InChIKeyAHDMOVKXAIPZTJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.30
Rot. Bonds8

About methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate

methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate (PubChem CID 103460357) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,2-dimethylbutylsulfamoyl)butanoate
PubChem CID103460357
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-(2,2-dimethylbutylsulfamoyl)butanoate
SMILESCCC(C)(C)CNS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C11H23NO4S/c1-5-11(2,3)9-12-17(14,15)8-6-7-10(13)16-4/h12H,5-9H2,1-4H3
InChIKeyAHDMOVKXAIPZTJ-UHFFFAOYSA-N
XLogP1.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate (CID 103460357) is methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate is CCC(C)(C)CNS(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate?
The InChIKey is AHDMOVKXAIPZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-5-11(2,3)9-12-17(14,15)8-6-7-10(13)16-4/h12H,5-9H2,1-4H3.
What are the key properties of methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate?
methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate has a molecular weight of 265.37 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dimethylbutylsulfamoyl)butanoate is sourced from PubChem (CID 103460357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).