methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate

C10H21NO4S — CID 61457639

IUPACmethyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate
SMILESCCC(C)(C)NS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C10H21NO4S/c1-5-10(2,3)11-16(13,14)8-6-7-9(12)15-4/h11H,5-8H2,1-4H3
InChIKeyXNABZUIKRKNSQJ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.05
Rot. Bonds7

About methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate

methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate (PubChem CID 61457639) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate
PubChem CID61457639
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Namemethyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate
SMILESCCC(C)(C)NS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C10H21NO4S/c1-5-10(2,3)11-16(13,14)8-6-7-9(12)15-4/h11H,5-8H2,1-4H3
InChIKeyXNABZUIKRKNSQJ-UHFFFAOYSA-N
XLogP1.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate (CID 61457639) is methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate is CCC(C)(C)NS(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate?
The InChIKey is XNABZUIKRKNSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-5-10(2,3)11-16(13,14)8-6-7-9(12)15-4/h11H,5-8H2,1-4H3.
What are the key properties of methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate?
methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate has a molecular weight of 251.35 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylbutan-2-ylsulfamoyl)butanoate is sourced from PubChem (CID 61457639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).