1-(dimethylamino)tetradecan-2-yl hydrogen sulfate

C16H35NO4S — CID 88639547

IUPAC1-(dimethylamino)tetradecan-2-yl hydrogen sulfate
SMILESCCCCCCCCCCCCC(CN(C)C)OS(=O)(=O)O
InChIInChI=1S/C16H35NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-16(15-17(2)3)21-22(18,19)20/h16H,4-15H2,1-3H3,(H,18,19,20)
InChIKeyRMVBEQWOSSKBKB-UHFFFAOYSA-N
MW337.53 g/mol
LogP4.05
Rot. Bonds15

About 1-(dimethylamino)tetradecan-2-yl hydrogen sulfate

1-(dimethylamino)tetradecan-2-yl hydrogen sulfate (PubChem CID 88639547) has the molecular formula C16H35NO4S and a molecular weight of 337.53 g/mol. Its IUPAC name is 1-(dimethylamino)tetradecan-2-yl hydrogen sulfate.

Molecular Properties

Compound Name1-(dimethylamino)tetradecan-2-yl hydrogen sulfate
PubChem CID88639547
Molecular FormulaC16H35NO4S
Molecular Weight337.53 g/mol
Exact Mass337.23
IUPAC Name1-(dimethylamino)tetradecan-2-yl hydrogen sulfate
SMILESCCCCCCCCCCCCC(CN(C)C)OS(=O)(=O)O
InChIInChI=1S/C16H35NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-16(15-17(2)3)21-22(18,19)20/h16H,4-15H2,1-3H3,(H,18,19,20)
InChIKeyRMVBEQWOSSKBKB-UHFFFAOYSA-N
XLogP4.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
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

dodecan-5-yl hydrogen sulfate;zinc
CID 174762801
decan-3-yl hydrogen sulfate
CID 88755449
1-hydroxyhenicosan-3-yl hydrogen sulfate
CID 150445681
1-(dimethylamino)docosyl hydrogen sulfate
CID 155092143
dimethyl(2-sulfooxydodecyl)sulfanium
CID 134927998
2-oxononadecan-10-yl hydrogen sulfate
CID 158336090
[(2R)-dodecan-2-yl] hydrogen sulfate
CID 101191211
octadecan-9-yl sulfo sulfate
CID 154422856
decan-5-yl hydrogen sulfate;2-methyloctan-3-yl hydrogen sulfate
CID 162150840
2-methyldecan-3-yl hydrogen sulfate
CID 154505461
3-methyltridecan-2-yl hydrogen sulfate
CID 134207540
1-(dipropylamino)pentan-2-yl hydrogen sulfate
CID 169323906

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)tetradecan-2-yl hydrogen sulfate?
The IUPAC name of 1-(dimethylamino)tetradecan-2-yl hydrogen sulfate (CID 88639547) is 1-(dimethylamino)tetradecan-2-yl hydrogen sulfate.
What is the SMILES notation for 1-(dimethylamino)tetradecan-2-yl hydrogen sulfate?
The canonical SMILES for 1-(dimethylamino)tetradecan-2-yl hydrogen sulfate is CCCCCCCCCCCCC(CN(C)C)OS(=O)(=O)O.
What is the InChIKey of 1-(dimethylamino)tetradecan-2-yl hydrogen sulfate?
The InChIKey is RMVBEQWOSSKBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-16(15-17(2)3)21-22(18,19)20/h16H,4-15H2,1-3H3,(H,18,19,20).
What are the key properties of 1-(dimethylamino)tetradecan-2-yl hydrogen sulfate?
1-(dimethylamino)tetradecan-2-yl hydrogen sulfate has a molecular weight of 337.53 g/mol, XLogP of 4.05, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)tetradecan-2-yl hydrogen sulfate is sourced from PubChem (CID 88639547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).