sodium N-cyclooctylsulfamate

C8H16NNaO3S — CID 23688976

IUPACsodium N-cyclooctylsulfamate
SMILESO=S(=O)([O-])NC1CCCCCCC1.[Na+]
InChIInChI=1S/C8H17NO3S.Na/c10-13(11,12)9-8-6-4-2-1-3-5-7-8;/h8-9H,1-7H2,(H,10,11,12);/q;+1/p-1
InChIKeyLIYFUKKDUWCILG-UHFFFAOYSA-M
MW229.28 g/mol
LogP-1.85
Rot. Bonds2

About sodium N-cyclooctylsulfamate

sodium N-cyclooctylsulfamate (PubChem CID 23688976) has the molecular formula C8H16NNaO3S and a molecular weight of 229.28 g/mol. Its IUPAC name is sodium N-cyclooctylsulfamate.

Molecular Properties

Compound Namesodium N-cyclooctylsulfamate
PubChem CID23688976
Molecular FormulaC8H16NNaO3S
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Namesodium N-cyclooctylsulfamate
SMILESO=S(=O)([O-])NC1CCCCCCC1.[Na+]
InChIInChI=1S/C8H17NO3S.Na/c10-13(11,12)9-8-6-4-2-1-3-5-7-8;/h8-9H,1-7H2,(H,10,11,12);/q;+1/p-1
InChIKeyLIYFUKKDUWCILG-UHFFFAOYSA-M
XLogP-1.85
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctylmethanesulfonamide
CID 2930737
Cyclooctylsulfamic acid
CID 170462
N-cyclooctylsulfamoyl chloride
CID 21560709
sodium N-dodecylsulfamate
CID 23668929
sodium N-octylsulfamate
CID 24796783
(Sulfinatoamino)cyclooctane
CID 57027137
2-(Sulfinatoamino)octane
CID 57260889
4-(Sulfinatoamino)octane
CID 57283190
3-(Sulfinatoamino)octane
CID 57421725
2-(Sulfinatoamino)nonane
CID 57421735
2-(Sulfinatoamino)decane
CID 57421743
4-(Sulfinatoamino)decane
CID 57421745

Frequently Asked Questions

What is the IUPAC name of sodium N-cyclooctylsulfamate?
The IUPAC name of sodium N-cyclooctylsulfamate (CID 23688976) is sodium N-cyclooctylsulfamate.
What is the SMILES notation for sodium N-cyclooctylsulfamate?
The canonical SMILES for sodium N-cyclooctylsulfamate is O=S(=O)([O-])NC1CCCCCCC1.[Na+].
What is the InChIKey of sodium N-cyclooctylsulfamate?
The InChIKey is LIYFUKKDUWCILG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO3S.Na/c10-13(11,12)9-8-6-4-2-1-3-5-7-8;/h8-9H,1-7H2,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium N-cyclooctylsulfamate?
sodium N-cyclooctylsulfamate has a molecular weight of 229.28 g/mol, XLogP of -1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-cyclooctylsulfamate is sourced from PubChem (CID 23688976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).