methyl 6-(butylsulfonylamino)hexanoate

C11H23NO4S — CID 43624193

IUPACmethyl 6-(butylsulfonylamino)hexanoate
SMILESCCCCS(=O)(=O)NCCCCCC(=O)OC
InChIInChI=1S/C11H23NO4S/c1-3-4-10-17(14,15)12-9-7-5-6-8-11(13)16-2/h12H,3-10H2,1-2H3
InChIKeyPGGJUEDSGLARCS-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.44
Rot. Bonds10

About methyl 6-(butylsulfonylamino)hexanoate

methyl 6-(butylsulfonylamino)hexanoate (PubChem CID 43624193) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is methyl 6-(butylsulfonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(butylsulfonylamino)hexanoate
PubChem CID43624193
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Namemethyl 6-(butylsulfonylamino)hexanoate
SMILESCCCCS(=O)(=O)NCCCCCC(=O)OC
InChIInChI=1S/C11H23NO4S/c1-3-4-10-17(14,15)12-9-7-5-6-8-11(13)16-2/h12H,3-10H2,1-2H3
InChIKeyPGGJUEDSGLARCS-UHFFFAOYSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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-(butylsulfonylamino)hexanoate?
The IUPAC name of methyl 6-(butylsulfonylamino)hexanoate (CID 43624193) is methyl 6-(butylsulfonylamino)hexanoate.
What is the SMILES notation for methyl 6-(butylsulfonylamino)hexanoate?
The canonical SMILES for methyl 6-(butylsulfonylamino)hexanoate is CCCCS(=O)(=O)NCCCCCC(=O)OC.
What is the InChIKey of methyl 6-(butylsulfonylamino)hexanoate?
The InChIKey is PGGJUEDSGLARCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-3-4-10-17(14,15)12-9-7-5-6-8-11(13)16-2/h12H,3-10H2,1-2H3.
What are the key properties of methyl 6-(butylsulfonylamino)hexanoate?
methyl 6-(butylsulfonylamino)hexanoate has a molecular weight of 265.37 g/mol, XLogP of 1.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(butylsulfonylamino)hexanoate is sourced from PubChem (CID 43624193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).