dodecanamide;2-sulfobutanedioic acid

C16H31NO8S — CID 22635291

IUPACdodecanamide;2-sulfobutanedioic acid
SMILESCCCCCCCCCCCC(N)=O.O=C(O)CC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C12H25NO.C4H6O7S/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;5-3(6)1-2(4(7)8)12(9,10)11/h2-11H2,1H3,(H2,13,14);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)
InChIKeyFZFGGAORMGMOIL-UHFFFAOYSA-N
MW397.49 g/mol
LogP2.19
Rot. Bonds14

About dodecanamide;2-sulfobutanedioic acid

dodecanamide;2-sulfobutanedioic acid (PubChem CID 22635291) has the molecular formula C16H31NO8S and a molecular weight of 397.49 g/mol. Its IUPAC name is dodecanamide;2-sulfobutanedioic acid.

Molecular Properties

Compound Namedodecanamide;2-sulfobutanedioic acid
PubChem CID22635291
Molecular FormulaC16H31NO8S
Molecular Weight397.49 g/mol
Exact Mass397.18
IUPAC Namedodecanamide;2-sulfobutanedioic acid
SMILESCCCCCCCCCCCC(N)=O.O=C(O)CC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C12H25NO.C4H6O7S/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;5-3(6)1-2(4(7)8)12(9,10)11/h2-11H2,1H3,(H2,13,14);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)
InChIKeyFZFGGAORMGMOIL-UHFFFAOYSA-N
XLogP2.19
TPSA172.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

barium(2+);2-sulfobutanedioic acid;bis(tridecane)
CID 158468828
calcium;bis(octane);2-sulfobutanedioic acid
CID 87143470
N-octyloctan-1-amine;2-sulfobutanedioic acid
CID 87358391
4-amino-4-oxobutanoic acid;2-sulfobutanedioic acid
CID 157095535
sodium;heptadecane;2-sulfobutanedioic acid
CID 174761700
sodium;bis(dodecanoic acid);4-hydroxy-4-oxo-2-sulfobutanoate
CID 157219630
potassium;1-ethoxynonane;2-sulfobutanedioic acid
CID 122611023
sodium;azane;3-methanidylheptane;octane;2-sulfobutanedioic acid
CID 161230992
potassium;1-propoxyhexane;2-sulfobutanedioic acid
CID 122610897
sodium;1-ethoxydodecane;2-sulfobutanedioic acid
CID 122611329
2-sulfobutanedioic acid;hydrate
CID 87187855
dipotassium;hydride;4-octadecoxy-4-oxo-3-sulfobutanoic acid
CID 174803193

Frequently Asked Questions

What is the IUPAC name of dodecanamide;2-sulfobutanedioic acid?
The IUPAC name of dodecanamide;2-sulfobutanedioic acid (CID 22635291) is dodecanamide;2-sulfobutanedioic acid.
What is the SMILES notation for dodecanamide;2-sulfobutanedioic acid?
The canonical SMILES for dodecanamide;2-sulfobutanedioic acid is CCCCCCCCCCCC(N)=O.O=C(O)CC(C(=O)O)S(=O)(=O)O.
What is the InChIKey of dodecanamide;2-sulfobutanedioic acid?
The InChIKey is FZFGGAORMGMOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C4H6O7S/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;5-3(6)1-2(4(7)8)12(9,10)11/h2-11H2,1H3,(H2,13,14);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11).
What are the key properties of dodecanamide;2-sulfobutanedioic acid?
dodecanamide;2-sulfobutanedioic acid has a molecular weight of 397.49 g/mol, XLogP of 2.19, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanamide;2-sulfobutanedioic acid is sourced from PubChem (CID 22635291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).