methyl 6-(tert-butylsulfonylamino)hexanoate

C11H23NO4S — CID 63688072

IUPACmethyl 6-(tert-butylsulfonylamino)hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-11(2,3)17(14,15)12-9-7-5-6-8-10(13)16-4/h12H,5-9H2,1-4H3
InChIKeyYQQGYPZLEJCIPJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.44
Rot. Bonds7

About methyl 6-(tert-butylsulfonylamino)hexanoate

methyl 6-(tert-butylsulfonylamino)hexanoate (PubChem CID 63688072) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is methyl 6-(tert-butylsulfonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(tert-butylsulfonylamino)hexanoate
PubChem CID63688072
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Namemethyl 6-(tert-butylsulfonylamino)hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-11(2,3)17(14,15)12-9-7-5-6-8-10(13)16-4/h12H,5-9H2,1-4H3
InChIKeyYQQGYPZLEJCIPJ-UHFFFAOYSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(tert-butylsulfonylamino)hexanoate?
The IUPAC name of methyl 6-(tert-butylsulfonylamino)hexanoate (CID 63688072) is methyl 6-(tert-butylsulfonylamino)hexanoate.
What is the SMILES notation for methyl 6-(tert-butylsulfonylamino)hexanoate?
The canonical SMILES for methyl 6-(tert-butylsulfonylamino)hexanoate is COC(=O)CCCCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of methyl 6-(tert-butylsulfonylamino)hexanoate?
The InChIKey is YQQGYPZLEJCIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-11(2,3)17(14,15)12-9-7-5-6-8-10(13)16-4/h12H,5-9H2,1-4H3.
What are the key properties of methyl 6-(tert-butylsulfonylamino)hexanoate?
methyl 6-(tert-butylsulfonylamino)hexanoate has a molecular weight of 265.37 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(tert-butylsulfonylamino)hexanoate is sourced from PubChem (CID 63688072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).