N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium

C11H26N2O4S — CID 155093777

IUPACN-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=S(=O)([O-])NC1CCCCC1
InChIInChI=1S/C6H13NO3S.C5H14NO/c8-11(9,10)7-6-4-2-1-3-5-6;1-6(2,3)4-5-7/h6-7H,1-5H2,(H,8,9,10);7H,4-5H2,1-3H3/q;+1/p-1
InChIKeyNZMYMIXACWZBSU-UHFFFAOYSA-M
MW282.41 g/mol
LogP0.05
Rot. Bonds4

About N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium

N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium (PubChem CID 155093777) has the molecular formula C11H26N2O4S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound NameN-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium
PubChem CID155093777
Molecular FormulaC11H26N2O4S
Molecular Weight282.41 g/mol
Exact Mass282.16
IUPAC NameN-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=S(=O)([O-])NC1CCCCC1
InChIInChI=1S/C6H13NO3S.C5H14NO/c8-11(9,10)7-6-4-2-1-3-5-6;1-6(2,3)4-5-7/h6-7H,1-5H2,(H,8,9,10);7H,4-5H2,1-3H3/q;+1/p-1
InChIKeyNZMYMIXACWZBSU-UHFFFAOYSA-M
XLogP0.05
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclohexylsulfamoyloxy)ethyl-trimethylazanium
CID 155093778
N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium
CID 155684057
Cyclohexylsulfamic acid;ethanol
CID 157832208
Cyclohexanamine;2-(dimethylamino)ethanol
CID 158591384
2-[Bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine
CID 161107033
Ethyl sulfate;hexan-2-yl-bis(2-hydroxyethyl)azanium
CID 3024026
[3-Hydroxypropylsulfamoyl(methyl)amino]cyclohexane
CID 43501459
[1-Hydroxybutan-2-ylsulfamoyl(methyl)amino]cyclohexane
CID 43501625
[2-Hydroxyethylsulfamoyl(methyl)amino]cyclohexane
CID 43501976
[1-Hydroxypropan-2-ylsulfamoyl(methyl)amino]cyclohexane
CID 43502138
[2-Hydroxypropylsulfamoyl(methyl)amino]cyclohexane
CID 43502326
2-[[3-Aminopropyl(methyl)sulfamoyl]-cyclohexylamino]ethanol
CID 54994028

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium (CID 155093777) is N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.O=S(=O)([O-])NC1CCCCC1.
What is the InChIKey of N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is NZMYMIXACWZBSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO3S.C5H14NO/c8-11(9,10)7-6-4-2-1-3-5-6;1-6(2,3)4-5-7/h6-7H,1-5H2,(H,8,9,10);7H,4-5H2,1-3H3/q;+1/p-1.
What are the key properties of N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium?
N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 282.41 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 155093777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).