2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium

C11H25N2O3S+ — CID 155093778

IUPAC2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C11H25N2O3S/c1-13(2,3)9-10-16-17(14,15)12-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3/q+1
InChIKeyYBNXWXVBCGGOIP-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.88
Rot. Bonds6

About 2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium

2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium (PubChem CID 155093778) has the molecular formula C11H25N2O3S+ and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium
PubChem CID155093778
Molecular FormulaC11H25N2O3S+
Molecular Weight265.40 g/mol
Exact Mass265.16
IUPAC Name2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C11H25N2O3S/c1-13(2,3)9-10-16-17(14,15)12-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3/q+1
InChIKeyYBNXWXVBCGGOIP-UHFFFAOYSA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium?
The IUPAC name of 2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium (CID 155093778) is 2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium.
What is the SMILES notation for 2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium?
The canonical SMILES for 2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium is C[N+](C)(C)CCOS(=O)(=O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium?
The InChIKey is YBNXWXVBCGGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2O3S/c1-13(2,3)9-10-16-17(14,15)12-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3/q+1.
What are the key properties of 2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium?
2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium has a molecular weight of 265.40 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfamoyloxy)ethyl-trimethylazanium is sourced from PubChem (CID 155093778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).