2-aminoethyl dodecyl sulfate

C14H31NO4S — CID 87208961

IUPAC2-aminoethyl dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)OCCN
InChIInChI=1S/C14H31NO4S/c1-2-3-4-5-6-7-8-9-10-11-13-18-20(16,17)19-14-12-15/h2-15H2,1H3
InChIKeyHIJIDYAOXMOWJU-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.14
Rot. Bonds15

About 2-aminoethyl dodecyl sulfate

2-aminoethyl dodecyl sulfate (PubChem CID 87208961) has the molecular formula C14H31NO4S and a molecular weight of 309.47 g/mol. Its IUPAC name is 2-aminoethyl dodecyl sulfate.

Molecular Properties

Compound Name2-aminoethyl dodecyl sulfate
PubChem CID87208961
Molecular FormulaC14H31NO4S
Molecular Weight309.47 g/mol
Exact Mass309.20
IUPAC Name2-aminoethyl dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)OCCN
InChIInChI=1S/C14H31NO4S/c1-2-3-4-5-6-7-8-9-10-11-13-18-20(16,17)19-14-12-15/h2-15H2,1H3
InChIKeyHIJIDYAOXMOWJU-UHFFFAOYSA-N
XLogP3.14
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
azanium didodecyl sulfate
CID 23617704
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
sodium dihexadecyl sulfate
CID 23616668
ethyl octyl sulfate
CID 22483719
bis(3-hexoxypropyl) sulfate
CID 139845289
dodecyl 12-hydroxydodecyl sulfate
CID 54032685
dodecyl 2-sulfanylethyl sulfate
CID 88509684
sodium;didodecyl sulfate;hydride;sulfuric acid
CID 174107474
(3-amino-3-methylbutyl) decyl sulfate
CID 176611633

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl dodecyl sulfate?
The IUPAC name of 2-aminoethyl dodecyl sulfate (CID 87208961) is 2-aminoethyl dodecyl sulfate.
What is the SMILES notation for 2-aminoethyl dodecyl sulfate?
The canonical SMILES for 2-aminoethyl dodecyl sulfate is CCCCCCCCCCCCOS(=O)(=O)OCCN.
What is the InChIKey of 2-aminoethyl dodecyl sulfate?
The InChIKey is HIJIDYAOXMOWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4S/c1-2-3-4-5-6-7-8-9-10-11-13-18-20(16,17)19-14-12-15/h2-15H2,1H3.
What are the key properties of 2-aminoethyl dodecyl sulfate?
2-aminoethyl dodecyl sulfate has a molecular weight of 309.47 g/mol, XLogP of 3.14, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl dodecyl sulfate is sourced from PubChem (CID 87208961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).