methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate

C10H22N2O4S — CID 114811560

IUPACmethyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-10(2,3)11-17(14,15)12(4)8-6-7-9(13)16-5/h11H,6-8H2,1-5H3
InChIKeyYRRIOLAVCXYVTF-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.50
Rot. Bonds6

About methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate

methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate (PubChem CID 114811560) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate
PubChem CID114811560
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-10(2,3)11-17(14,15)12(4)8-6-7-9(13)16-5/h11H,6-8H2,1-5H3
InChIKeyYRRIOLAVCXYVTF-UHFFFAOYSA-N
XLogP0.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate (CID 114811560) is methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate is COC(=O)CCCN(C)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate?
The InChIKey is YRRIOLAVCXYVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-10(2,3)11-17(14,15)12(4)8-6-7-9(13)16-5/h11H,6-8H2,1-5H3.
What are the key properties of methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate?
methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate has a molecular weight of 266.36 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butylsulfamoyl(methyl)amino]butanoate is sourced from PubChem (CID 114811560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).