methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate

C11H23NO4S — CID 63966614

IUPACmethyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate
SMILESCCC(C)(C)N(C)S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C11H23NO4S/c1-6-11(2,3)12(4)17(14,15)9-7-8-10(13)16-5/h6-9H2,1-5H3
InChIKeySOEATOQGGGLQBO-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.39
Rot. Bonds7

About methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate

methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate (PubChem CID 63966614) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate
PubChem CID63966614
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate
SMILESCCC(C)(C)N(C)S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C11H23NO4S/c1-6-11(2,3)12(4)17(14,15)9-7-8-10(13)16-5/h6-9H2,1-5H3
InChIKeySOEATOQGGGLQBO-UHFFFAOYSA-N
XLogP1.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate (CID 63966614) is methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate is CCC(C)(C)N(C)S(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate?
The InChIKey is SOEATOQGGGLQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-6-11(2,3)12(4)17(14,15)9-7-8-10(13)16-5/h6-9H2,1-5H3.
What are the key properties of methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate?
methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate has a molecular weight of 265.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate is sourced from PubChem (CID 63966614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).