5-(2,2-dimethylpropylsulfonylamino)hexanoic acid

C11H23NO4S — CID 82854198

IUPAC5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-9(6-5-7-10(13)14)12-17(15,16)8-11(2,3)4/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyVGGBSAANDSZBRQ-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.60
Rot. Bonds7

About 5-(2,2-dimethylpropylsulfonylamino)hexanoic acid

5-(2,2-dimethylpropylsulfonylamino)hexanoic acid (PubChem CID 82854198) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 5-(2,2-dimethylpropylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
PubChem CID82854198
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-9(6-5-7-10(13)14)12-17(15,16)8-11(2,3)4/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyVGGBSAANDSZBRQ-UHFFFAOYSA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethoxycarbonylsulfamoylamino)hexanoic acid
CID 114463014
5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
CID 82854872
5-(piperidin-1-ylsulfonylamino)hexanoic acid
CID 82854421
5-(tert-butylcarbamoylamino)hexanoic acid
CID 82854644
3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
CID 43578597
5-(propan-2-ylamino)hexanoic acid
CID 82848277
4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid
CID 104827551
5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
CID 82854201
5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
CID 103930433
5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
CID 82855023
5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid
CID 82845347
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropylsulfonylamino)hexanoic acid?
The IUPAC name of 5-(2,2-dimethylpropylsulfonylamino)hexanoic acid (CID 82854198) is 5-(2,2-dimethylpropylsulfonylamino)hexanoic acid.
What is the SMILES notation for 5-(2,2-dimethylpropylsulfonylamino)hexanoic acid?
The canonical SMILES for 5-(2,2-dimethylpropylsulfonylamino)hexanoic acid is CC(CCCC(=O)O)NS(=O)(=O)CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropylsulfonylamino)hexanoic acid?
The InChIKey is VGGBSAANDSZBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-9(6-5-7-10(13)14)12-17(15,16)8-11(2,3)4/h9,12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 5-(2,2-dimethylpropylsulfonylamino)hexanoic acid?
5-(2,2-dimethylpropylsulfonylamino)hexanoic acid has a molecular weight of 265.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropylsulfonylamino)hexanoic acid is sourced from PubChem (CID 82854198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).