1-aminotetradecan-2-ol;sulfuric acid

C14H33NO5S — CID 158919972

IUPAC1-aminotetradecan-2-ol;sulfuric acid
SMILESCCCCCCCCCCCCC(O)CN.O=S(=O)(O)O
InChIInChI=1S/C14H31NO.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15;1-5(2,3)4/h14,16H,2-13,15H2,1H3;(H2,1,2,3,4)
InChIKeyJHSDUZHFPUCLBY-UHFFFAOYSA-N
MW327.49 g/mol
LogP2.96
Rot. Bonds12

About 1-aminotetradecan-2-ol;sulfuric acid

1-aminotetradecan-2-ol;sulfuric acid (PubChem CID 158919972) has the molecular formula C14H33NO5S and a molecular weight of 327.49 g/mol. Its IUPAC name is 1-aminotetradecan-2-ol;sulfuric acid.

Molecular Properties

Compound Name1-aminotetradecan-2-ol;sulfuric acid
PubChem CID158919972
Molecular FormulaC14H33NO5S
Molecular Weight327.49 g/mol
Exact Mass327.21
IUPAC Name1-aminotetradecan-2-ol;sulfuric acid
SMILESCCCCCCCCCCCCC(O)CN.O=S(=O)(O)O
InChIInChI=1S/C14H31NO.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15;1-5(2,3)4/h14,16H,2-13,15H2,1H3;(H2,1,2,3,4)
InChIKeyJHSDUZHFPUCLBY-UHFFFAOYSA-N
XLogP2.96
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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(2R)-1-aminooctan-2-ol
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1-aminohexan-2-ol;propane-1-sulfonic acid
CID 175457204
pentacosan-13-amine;sulfuric acid
CID 135341364
1,24-diaminotetracosane-2,23-diol
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sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid
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1-aminopentadecane-2-sulfonic acid
CID 19067551
1-amino-2-hydroxynonane-3-sulfonic acid
CID 141131819
heptane;propan-2-ol;sulfuric acid
CID 87329461
tetratetracontan-22-ol
CID 91434437
nonacosane-7,20-diol
CID 174949468

Frequently Asked Questions

What is the IUPAC name of 1-aminotetradecan-2-ol;sulfuric acid?
The IUPAC name of 1-aminotetradecan-2-ol;sulfuric acid (CID 158919972) is 1-aminotetradecan-2-ol;sulfuric acid.
What is the SMILES notation for 1-aminotetradecan-2-ol;sulfuric acid?
The canonical SMILES for 1-aminotetradecan-2-ol;sulfuric acid is CCCCCCCCCCCCC(O)CN.O=S(=O)(O)O.
What is the InChIKey of 1-aminotetradecan-2-ol;sulfuric acid?
The InChIKey is JHSDUZHFPUCLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15;1-5(2,3)4/h14,16H,2-13,15H2,1H3;(H2,1,2,3,4).
What are the key properties of 1-aminotetradecan-2-ol;sulfuric acid?
1-aminotetradecan-2-ol;sulfuric acid has a molecular weight of 327.49 g/mol, XLogP of 2.96, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminotetradecan-2-ol;sulfuric acid is sourced from PubChem (CID 158919972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).