4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid

C11H13F11N2O4S — CID 139597361

IUPAC4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid
SMILESCN(C)CCC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C11H13F11N2O4S/c1-24(2)4-3-5(6(25)26)23-29(27,28)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h5,23H,3-4H2,1-2H3,(H,25,26)
InChIKeyURGNYSYSQBGAJW-UHFFFAOYSA-N
MW478.28 g/mol
LogP2.37
Rot. Bonds10

About 4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid

4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid (PubChem CID 139597361) has the molecular formula C11H13F11N2O4S and a molecular weight of 478.28 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid
PubChem CID139597361
Molecular FormulaC11H13F11N2O4S
Molecular Weight478.28 g/mol
Exact Mass478.04
IUPAC Name4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid
SMILESCN(C)CCC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C11H13F11N2O4S/c1-24(2)4-3-5(6(25)26)23-29(27,28)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h5,23H,3-4H2,1-2H3,(H,25,26)
InChIKeyURGNYSYSQBGAJW-UHFFFAOYSA-N
XLogP2.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Dimethylamino)-2-{[(perfluorobutyl)sulfonyl]amino}butanoic acid
CID 139596651
4-(Dimethylamino)-2-{[(perfluorohexyl)sulfonyl]amino}butanoic acid
CID 139596852
N-dimethylammoniocarboxypropyl-perfluoromethane sulfonamide
CID 138395173
N-dimethylammoniocarboxypropyl-perfluoroethane sulfonamide
CID 163324287
N-dimethylammoniocarboxypropyl-perfluoropropane sulfonamide
CID 163324288
N-dimethylammoniocarboxypropyl-perfluoroheptane sulfonamide
CID 163324289
N-dimethylammoniocarboxypropyl-perfluorooctane sulfonamide
CID 163324290
N-dimethylammoniocarboxypropyl-perfluorononane sulfonamide
CID 163324291
N-dimethylammoniocarboxypropyl-perfluorodecane sulfonamide
CID 163324292
N-dimethylammoniocarboxypropyl-perfluoroundecane sulfonamide
CID 163324293
N-dimethylammoniocarboxypropyl-perfluorododecane sulfonamide
CID 163324294

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid?
The IUPAC name of 4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid (CID 139597361) is 4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid?
The canonical SMILES for 4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid is CN(C)CCC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of 4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid?
The InChIKey is URGNYSYSQBGAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F11N2O4S/c1-24(2)4-3-5(6(25)26)23-29(27,28)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h5,23H,3-4H2,1-2H3,(H,25,26).
What are the key properties of 4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid?
4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid has a molecular weight of 478.28 g/mol, XLogP of 2.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid is sourced from PubChem (CID 139597361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).