sodium;hydride;propyl 1-aminododecane-1-sulfonate

C15H34NNaO3S — CID 174664217

IUPACsodium;hydride;propyl 1-aminododecane-1-sulfonate
SMILESCCCCCCCCCCCC(N)S(=O)(=O)OCCC.[H-].[Na+]
InChIInChI=1S/C15H33NO3S.Na.H/c1-3-5-6-7-8-9-10-11-12-13-15(16)20(17,18)19-14-4-2;;/h15H,3-14,16H2,1-2H3;;/q;+1;-1
InChIKeyDZDGTUHRBCKRLA-UHFFFAOYSA-N
MW331.50 g/mol
LogP1.07
Rot. Bonds14

About sodium;hydride;propyl 1-aminododecane-1-sulfonate

sodium;hydride;propyl 1-aminododecane-1-sulfonate (PubChem CID 174664217) has the molecular formula C15H34NNaO3S and a molecular weight of 331.50 g/mol. Its IUPAC name is sodium;hydride;propyl 1-aminododecane-1-sulfonate.

Molecular Properties

Compound Namesodium;hydride;propyl 1-aminododecane-1-sulfonate
PubChem CID174664217
Molecular FormulaC15H34NNaO3S
Molecular Weight331.50 g/mol
Exact Mass331.22
IUPAC Namesodium;hydride;propyl 1-aminododecane-1-sulfonate
SMILESCCCCCCCCCCCC(N)S(=O)(=O)OCCC.[H-].[Na+]
InChIInChI=1S/C15H33NO3S.Na.H/c1-3-5-6-7-8-9-10-11-12-13-15(16)20(17,18)19-14-4-2;;/h15H,3-14,16H2,1-2H3;;/q;+1;-1
InChIKeyDZDGTUHRBCKRLA-UHFFFAOYSA-N
XLogP1.07
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 51.07
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_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2R)-octan-2-yl]sulfonyloxybutyl (2R)-octane-2-sulfonate
CID 98566307
1-aminooctadecane-1-sulfonic acid
CID 87917836
lithium;hydride;pentadecyl 1-fluorodecane-1-sulfonate
CID 175360656
pentadecyl 1-fluorodecane-1-sulfonate
CID 175165524
octadecyl 1-fluoroundecane-1-sulfonate
CID 175528772
3-aminopropyl undecane-3-sulfonate
CID 174455247
4-aminododecyl hydrogen sulfate
CID 160778086
dodecan-2-amine;ethyl hydrogen sulfate
CID 173229278
azane;propyl pentane-2-sulfonate
CID 174806625
pentacosan-13-amine;sulfuric acid
CID 135341364
sodium;ethyl octadecan-9-yloxy sulfate;hydride
CID 174994159
propyl propane-2-sulfonate
CID 19702370

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;propyl 1-aminododecane-1-sulfonate?
The IUPAC name of sodium;hydride;propyl 1-aminododecane-1-sulfonate (CID 174664217) is sodium;hydride;propyl 1-aminododecane-1-sulfonate.
What is the SMILES notation for sodium;hydride;propyl 1-aminododecane-1-sulfonate?
The canonical SMILES for sodium;hydride;propyl 1-aminododecane-1-sulfonate is CCCCCCCCCCCC(N)S(=O)(=O)OCCC.[H-].[Na+].
What is the InChIKey of sodium;hydride;propyl 1-aminododecane-1-sulfonate?
The InChIKey is DZDGTUHRBCKRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3S.Na.H/c1-3-5-6-7-8-9-10-11-12-13-15(16)20(17,18)19-14-4-2;;/h15H,3-14,16H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;propyl 1-aminododecane-1-sulfonate?
sodium;hydride;propyl 1-aminododecane-1-sulfonate has a molecular weight of 331.50 g/mol, XLogP of 1.07, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;propyl 1-aminododecane-1-sulfonate is sourced from PubChem (CID 174664217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).