azane;methyl octadecyl sulfate

C19H43NO4S — CID 89401609

IUPACazane;methyl octadecyl sulfate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)OC.N
InChIInChI=1S/C19H40O4S.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24(20,21)22-2;/h3-19H2,1-2H3;1H3
InChIKeyBKIJZNLVVMAHDN-UHFFFAOYSA-N
MW381.62 g/mol
LogP6.32
Rot. Bonds19

About azane;methyl octadecyl sulfate

azane;methyl octadecyl sulfate (PubChem CID 89401609) has the molecular formula C19H43NO4S and a molecular weight of 381.62 g/mol. Its IUPAC name is azane;methyl octadecyl sulfate.

Molecular Properties

Compound Nameazane;methyl octadecyl sulfate
PubChem CID89401609
Molecular FormulaC19H43NO4S
Molecular Weight381.62 g/mol
Exact Mass381.29
IUPAC Nameazane;methyl octadecyl sulfate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)OC.N
InChIInChI=1S/C19H40O4S.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24(20,21)22-2;/h3-19H2,1-2H3;1H3
InChIKeyBKIJZNLVVMAHDN-UHFFFAOYSA-N
XLogP6.32
TPSA87.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.62
LogP ≤ 56.32
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

CID 158400651
CID 158400651
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 methyl sulfate
CID 90892566
4,7-dioxododecyl methyl sulfate
CID 163545261
dodecyl 12-hydroxydodecyl sulfate
CID 54032685

Frequently Asked Questions

What is the IUPAC name of azane;methyl octadecyl sulfate?
The IUPAC name of azane;methyl octadecyl sulfate (CID 89401609) is azane;methyl octadecyl sulfate.
What is the SMILES notation for azane;methyl octadecyl sulfate?
The canonical SMILES for azane;methyl octadecyl sulfate is CCCCCCCCCCCCCCCCCCOS(=O)(=O)OC.N.
What is the InChIKey of azane;methyl octadecyl sulfate?
The InChIKey is BKIJZNLVVMAHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O4S.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24(20,21)22-2;/h3-19H2,1-2H3;1H3.
What are the key properties of azane;methyl octadecyl sulfate?
azane;methyl octadecyl sulfate has a molecular weight of 381.62 g/mol, XLogP of 6.32, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl octadecyl sulfate is sourced from PubChem (CID 89401609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).