sodium N-octadecylsulfamate

C18H38NNaO3S — CID 87410765

IUPACsodium N-octadecylsulfamate
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C18H39NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22;/h19H,2-18H2,1H3,(H,20,21,22);/q;+1/p-1
InChIKeyFVYYKSOYMHLMOX-UHFFFAOYSA-M
MW371.56 g/mol
LogP2.30
Rot. Bonds18

About sodium N-octadecylsulfamate

sodium N-octadecylsulfamate (PubChem CID 87410765) has the molecular formula C18H38NNaO3S and a molecular weight of 371.56 g/mol. Its IUPAC name is sodium N-octadecylsulfamate.

Molecular Properties

Compound Namesodium N-octadecylsulfamate
PubChem CID87410765
Molecular FormulaC18H38NNaO3S
Molecular Weight371.56 g/mol
Exact Mass371.25
IUPAC Namesodium N-octadecylsulfamate
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C18H39NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22;/h19H,2-18H2,1H3,(H,20,21,22);/q;+1/p-1
InChIKeyFVYYKSOYMHLMOX-UHFFFAOYSA-M
XLogP2.30
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.56
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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CID 24885538
disodium;bis(tetradecane);sulfate
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sodium;dodecane;sulfate
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CID 140586841
N-octadecylpropane-1-sulfonamide
CID 88827291
N-decylbutane-1-sulfonamide
CID 19681427
1-(sulfamoylamino)octane;hydrofluoride
CID 175085495
disodium bis(3-(dodecylamino)propane-1-sulfonate)
CID 19793942
sodium;sulfuric acid;tetradecane
CID 170922474
disodium;dodecane-1-sulfonate;hydroxide
CID 141290299
dialuminum;octadecylhydrazine;trisulfate
CID 174557515
azane;1-(sulfamoylamino)pentane
CID 87509026

Frequently Asked Questions

What is the IUPAC name of sodium N-octadecylsulfamate?
The IUPAC name of sodium N-octadecylsulfamate (CID 87410765) is sodium N-octadecylsulfamate.
What is the SMILES notation for sodium N-octadecylsulfamate?
The canonical SMILES for sodium N-octadecylsulfamate is CCCCCCCCCCCCCCCCCCNS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium N-octadecylsulfamate?
The InChIKey is FVYYKSOYMHLMOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H39NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22;/h19H,2-18H2,1H3,(H,20,21,22);/q;+1/p-1.
What are the key properties of sodium N-octadecylsulfamate?
sodium N-octadecylsulfamate has a molecular weight of 371.56 g/mol, XLogP of 2.30, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-octadecylsulfamate is sourced from PubChem (CID 87410765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).