N-nonylsulfamate

C9H20NO3S- — CID 24796780

IUPACN-nonylsulfamate
SMILESCCCCCCCCCNS(=O)(=O)[O-]
InChIInChI=1S/C9H21NO3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h10H,2-9H2,1H3,(H,11,12,13)/p-1
InChIKeyYOXPELHHBZBLIC-UHFFFAOYSA-M
MW222.33 g/mol
LogP1.79
Rot. Bonds9

About N-nonylsulfamate

N-nonylsulfamate (PubChem CID 24796780) has the molecular formula C9H20NO3S- and a molecular weight of 222.33 g/mol. Its IUPAC name is N-nonylsulfamate.

Molecular Properties

Compound NameN-nonylsulfamate
PubChem CID24796780
Molecular FormulaC9H20NO3S-
Molecular Weight222.33 g/mol
Exact Mass222.12
IUPAC NameN-nonylsulfamate
SMILESCCCCCCCCCNS(=O)(=O)[O-]
InChIInChI=1S/C9H21NO3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h10H,2-9H2,1H3,(H,11,12,13)/p-1
InChIKeyYOXPELHHBZBLIC-UHFFFAOYSA-M
XLogP1.79
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of N-nonylsulfamate?
The IUPAC name of N-nonylsulfamate (CID 24796780) is N-nonylsulfamate.
What is the SMILES notation for N-nonylsulfamate?
The canonical SMILES for N-nonylsulfamate is CCCCCCCCCNS(=O)(=O)[O-].
What is the InChIKey of N-nonylsulfamate?
The InChIKey is YOXPELHHBZBLIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H21NO3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h10H,2-9H2,1H3,(H,11,12,13)/p-1.
What are the key properties of N-nonylsulfamate?
N-nonylsulfamate has a molecular weight of 222.33 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonylsulfamate is sourced from PubChem (CID 24796780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).