sodium N-butylsulfamate

C4H10NNaO3S — CID 24885538

IUPACsodium N-butylsulfamate
SMILESCCCCNS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H11NO3S.Na/c1-2-3-4-5-9(6,7)8;/h5H,2-4H2,1H3,(H,6,7,8);/q;+1/p-1
InChIKeyXFNVBZPKQCXQHY-UHFFFAOYSA-M
MW175.18 g/mol
LogP-3.16
Rot. Bonds4

About sodium N-butylsulfamate

sodium N-butylsulfamate (PubChem CID 24885538) has the molecular formula C4H10NNaO3S and a molecular weight of 175.18 g/mol. Its IUPAC name is sodium N-butylsulfamate.

Molecular Properties

Compound Namesodium N-butylsulfamate
PubChem CID24885538
Molecular FormulaC4H10NNaO3S
Molecular Weight175.18 g/mol
Exact Mass175.03
IUPAC Namesodium N-butylsulfamate
SMILESCCCCNS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H11NO3S.Na/c1-2-3-4-5-9(6,7)8;/h5H,2-4H2,1H3,(H,6,7,8);/q;+1/p-1
InChIKeyXFNVBZPKQCXQHY-UHFFFAOYSA-M
XLogP-3.16
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-3.16
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

sodium N-octadecylsulfamate
CID 87410765
disodium;bis(tetradecane);sulfate
CID 173098136
sodium;dodecane;sulfate
CID 23355954
1-(ethylsulfanylsulfonylamino)butane
CID 174743964
disodium;dodecane-1-sulfonate;hydroxide
CID 141290299
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
N-octadecylpropane-1-sulfonamide
CID 88827291
azane;1-(sulfamoylamino)pentane
CID 87509026
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
disodium bis(3-(dodecylamino)propane-1-sulfonate)
CID 19793942
N-butyl-4-(cyanomethyl)benzenesulfonamide
CID 79186452
1-(sulfamoylamino)octane;hydrofluoride
CID 175085495

Frequently Asked Questions

What is the IUPAC name of sodium N-butylsulfamate?
The IUPAC name of sodium N-butylsulfamate (CID 24885538) is sodium N-butylsulfamate.
What is the SMILES notation for sodium N-butylsulfamate?
The canonical SMILES for sodium N-butylsulfamate is CCCCNS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium N-butylsulfamate?
The InChIKey is XFNVBZPKQCXQHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S.Na/c1-2-3-4-5-9(6,7)8;/h5H,2-4H2,1H3,(H,6,7,8);/q;+1/p-1.
What are the key properties of sodium N-butylsulfamate?
sodium N-butylsulfamate has a molecular weight of 175.18 g/mol, XLogP of -3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-butylsulfamate is sourced from PubChem (CID 24885538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).