sodium N-heptyl-N-hydroxysulfamate

C7H16NNaO4S — CID 88783384

IUPACsodium N-heptyl-N-hydroxysulfamate
SMILESCCCCCCCN(O)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C7H17NO4S.Na/c1-2-3-4-5-6-7-8(9)13(10,11)12;/h9H,2-7H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKeyUDCPIEFLTUDUMW-UHFFFAOYSA-M
MW233.26 g/mol
LogP-1.89
Rot. Bonds7

About sodium N-heptyl-N-hydroxysulfamate

sodium N-heptyl-N-hydroxysulfamate (PubChem CID 88783384) has the molecular formula C7H16NNaO4S and a molecular weight of 233.26 g/mol. Its IUPAC name is sodium N-heptyl-N-hydroxysulfamate.

Molecular Properties

Compound Namesodium N-heptyl-N-hydroxysulfamate
PubChem CID88783384
Molecular FormulaC7H16NNaO4S
Molecular Weight233.26 g/mol
Exact Mass233.07
IUPAC Namesodium N-heptyl-N-hydroxysulfamate
SMILESCCCCCCCN(O)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C7H17NO4S.Na/c1-2-3-4-5-6-7-8(9)13(10,11)12;/h9H,2-7H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKeyUDCPIEFLTUDUMW-UHFFFAOYSA-M
XLogP-1.89
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

disodium;bis(tetradecane);sulfate
CID 173098136
sodium;dodecane;sulfate
CID 23355954
N,N-dipentylethanesulfonamide
CID 3453334
sodium;sulfuric acid;tetradecane
CID 170922474
N,N-dihexylhexan-1-amine;sulfuric acid
CID 172853690
bis(N,N-dihexylhexan-1-amine);sulfuric acid
CID 71357248
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
sodium 2-[methyl(octadecyl)amino]ethanesulfonate
CID 87283536
disodium;3-[2-[dodecyl(3-sulfonatopropyl)amino]ethyl-octylamino]propane-1-sulfonate
CID 102207374
disodium;dodecan-1-ol;molecular oxygen;sulfate
CID 174277972
bis(N,N-dimethylnonadecan-1-amine);sulfuric acid
CID 175167546
N-decyl-N-dodecylhydroxylamine
CID 151707485

Frequently Asked Questions

What is the IUPAC name of sodium N-heptyl-N-hydroxysulfamate?
The IUPAC name of sodium N-heptyl-N-hydroxysulfamate (CID 88783384) is sodium N-heptyl-N-hydroxysulfamate.
What is the SMILES notation for sodium N-heptyl-N-hydroxysulfamate?
The canonical SMILES for sodium N-heptyl-N-hydroxysulfamate is CCCCCCCN(O)S(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium N-heptyl-N-hydroxysulfamate?
The InChIKey is UDCPIEFLTUDUMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17NO4S.Na/c1-2-3-4-5-6-7-8(9)13(10,11)12;/h9H,2-7H2,1H3,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium N-heptyl-N-hydroxysulfamate?
sodium N-heptyl-N-hydroxysulfamate has a molecular weight of 233.26 g/mol, XLogP of -1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-heptyl-N-hydroxysulfamate is sourced from PubChem (CID 88783384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).