sulfuric acid;O-tetradecan-2-ylhydroxylamine

C14H33NO5S — CID 88818461

IUPACsulfuric acid;O-tetradecan-2-ylhydroxylamine
SMILESCCCCCCCCCCCCC(C)ON.O=S(=O)(O)O
InChIInChI=1S/C14H31NO.H2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)16-15;1-5(2,3)4/h14H,3-13,15H2,1-2H3;(H2,1,2,3,4)
InChIKeyHTZLCHXEZYAPGC-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.92
Rot. Bonds12

About sulfuric acid;O-tetradecan-2-ylhydroxylamine

sulfuric acid;O-tetradecan-2-ylhydroxylamine (PubChem CID 88818461) has the molecular formula C14H33NO5S and a molecular weight of 327.49 g/mol. Its IUPAC name is sulfuric acid;O-tetradecan-2-ylhydroxylamine.

Molecular Properties

Compound Namesulfuric acid;O-tetradecan-2-ylhydroxylamine
PubChem CID88818461
Molecular FormulaC14H33NO5S
Molecular Weight327.49 g/mol
Exact Mass327.21
IUPAC Namesulfuric acid;O-tetradecan-2-ylhydroxylamine
SMILESCCCCCCCCCCCCC(C)ON.O=S(=O)(O)O
InChIInChI=1S/C14H31NO.H2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)16-15;1-5(2,3)4/h14H,3-13,15H2,1-2H3;(H2,1,2,3,4)
InChIKeyHTZLCHXEZYAPGC-UHFFFAOYSA-N
XLogP3.92
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-hexadecan-2-ylhydroxylamine
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[(2R)-dodecan-2-yl] hydrogen sulfate
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2-decan-2-yloxyethanol;sulfuric acid
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pentadecan-2-yloxy hydrogen sulfate
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heptane;propan-2-ol;sulfuric acid
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sulfuric acid;trihexyl(methyl)phosphanium
CID 118386562
octan-2-yl ethanesulfonate
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CID 170436301

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;O-tetradecan-2-ylhydroxylamine?
The IUPAC name of sulfuric acid;O-tetradecan-2-ylhydroxylamine (CID 88818461) is sulfuric acid;O-tetradecan-2-ylhydroxylamine.
What is the SMILES notation for sulfuric acid;O-tetradecan-2-ylhydroxylamine?
The canonical SMILES for sulfuric acid;O-tetradecan-2-ylhydroxylamine is CCCCCCCCCCCCC(C)ON.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;O-tetradecan-2-ylhydroxylamine?
The InChIKey is HTZLCHXEZYAPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO.H2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)16-15;1-5(2,3)4/h14H,3-13,15H2,1-2H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;O-tetradecan-2-ylhydroxylamine?
sulfuric acid;O-tetradecan-2-ylhydroxylamine has a molecular weight of 327.49 g/mol, XLogP of 3.92, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;O-tetradecan-2-ylhydroxylamine is sourced from PubChem (CID 88818461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).