methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate

C11H23NO4S — CID 158848770

IUPACmethyl 3-(tert-butylsulfonylamino)-3-methylpentanoate
SMILESCCC(C)(CC(=O)OC)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-7-11(5,8-9(13)16-6)12-17(14,15)10(2,3)4/h12H,7-8H2,1-6H3
InChIKeyIZEDMAGLUSODML-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.44
Rot. Bonds5

About methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate

methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate (PubChem CID 158848770) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 3-(tert-butylsulfonylamino)-3-methylpentanoate
PubChem CID158848770
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Namemethyl 3-(tert-butylsulfonylamino)-3-methylpentanoate
SMILESCCC(C)(CC(=O)OC)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-7-11(5,8-9(13)16-6)12-17(14,15)10(2,3)4/h12H,7-8H2,1-6H3
InChIKeyIZEDMAGLUSODML-UHFFFAOYSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate?
The IUPAC name of methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate (CID 158848770) is methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate.
What is the SMILES notation for methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate?
The canonical SMILES for methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate is CCC(C)(CC(=O)OC)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate?
The InChIKey is IZEDMAGLUSODML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-7-11(5,8-9(13)16-6)12-17(14,15)10(2,3)4/h12H,7-8H2,1-6H3.
What are the key properties of methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate?
methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate has a molecular weight of 265.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(tert-butylsulfonylamino)-3-methylpentanoate is sourced from PubChem (CID 158848770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).