1-aminopentadecane-2-sulfonic acid

C15H33NO3S — CID 19067551

IUPAC1-aminopentadecane-2-sulfonic acid
SMILESCCCCCCCCCCCCCC(CN)S(=O)(=O)O
InChIInChI=1S/C15H33NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(14-16)20(17,18)19/h15H,2-14,16H2,1H3,(H,17,18,19)
InChIKeyZCWVPUNUHMLGKY-UHFFFAOYSA-N
MW307.50 g/mol
LogP3.90
Rot. Bonds14

About 1-aminopentadecane-2-sulfonic acid

1-aminopentadecane-2-sulfonic acid (PubChem CID 19067551) has the molecular formula C15H33NO3S and a molecular weight of 307.50 g/mol. Its IUPAC name is 1-aminopentadecane-2-sulfonic acid.

Molecular Properties

Compound Name1-aminopentadecane-2-sulfonic acid
PubChem CID19067551
Molecular FormulaC15H33NO3S
Molecular Weight307.50 g/mol
Exact Mass307.22
IUPAC Name1-aminopentadecane-2-sulfonic acid
SMILESCCCCCCCCCCCCCC(CN)S(=O)(=O)O
InChIInChI=1S/C15H33NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(14-16)20(17,18)19/h15H,2-14,16H2,1H3,(H,17,18,19)
InChIKeyZCWVPUNUHMLGKY-UHFFFAOYSA-N
XLogP3.90
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

heptatriacontane-12-sulfonic acid
CID 175166890
octadecane-9-sulfonic acid
CID 19700233
tritetracontane-14-sulfonic acid
CID 151699628
docosane-11-sulfonic acid
CID 175254897
pentacosane-11-sulfonic acid
CID 175161777
dodecane-5-sulfonic acid
CID 87491021
icosane-9-sulfonic acid;prop-2-en-1-amine
CID 175529168
1-aminopentane-2-sulfonic acid
CID 88729087
1,5-diaminopentane-2-sulfonic acid
CID 130176465
sodium;hexadecane-4,7-disulfonic acid;hydride
CID 174804373
nonane-5-sulfonic acid
CID 22325204
1-aminooctadecane-1-sulfonic acid
CID 87917836

Frequently Asked Questions

What is the IUPAC name of 1-aminopentadecane-2-sulfonic acid?
The IUPAC name of 1-aminopentadecane-2-sulfonic acid (CID 19067551) is 1-aminopentadecane-2-sulfonic acid.
What is the SMILES notation for 1-aminopentadecane-2-sulfonic acid?
The canonical SMILES for 1-aminopentadecane-2-sulfonic acid is CCCCCCCCCCCCCC(CN)S(=O)(=O)O.
What is the InChIKey of 1-aminopentadecane-2-sulfonic acid?
The InChIKey is ZCWVPUNUHMLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(14-16)20(17,18)19/h15H,2-14,16H2,1H3,(H,17,18,19).
What are the key properties of 1-aminopentadecane-2-sulfonic acid?
1-aminopentadecane-2-sulfonic acid has a molecular weight of 307.50 g/mol, XLogP of 3.90, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopentadecane-2-sulfonic acid is sourced from PubChem (CID 19067551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).