carbamoyloxysulfonyl(triethyl)azanium

C7H17N2O4S+ — CID 118981824

IUPACcarbamoyloxysulfonyl(triethyl)azanium
SMILESCC[N+](CC)(CC)S(=O)(=O)OC(N)=O
InChIInChI=1S/C7H16N2O4S/c1-4-9(5-2,6-3)14(11,12)13-7(8)10/h4-6H2,1-3H3,(H-,8,10)/p+1
InChIKeyLFJILNGWPWRYME-UHFFFAOYSA-O
MW225.29 g/mol
LogP0.20
Rot. Bonds5

About carbamoyloxysulfonyl(triethyl)azanium

carbamoyloxysulfonyl(triethyl)azanium (PubChem CID 118981824) has the molecular formula C7H17N2O4S+ and a molecular weight of 225.29 g/mol. Its IUPAC name is carbamoyloxysulfonyl(triethyl)azanium.

Molecular Properties

Compound Namecarbamoyloxysulfonyl(triethyl)azanium
PubChem CID118981824
Molecular FormulaC7H17N2O4S+
Molecular Weight225.29 g/mol
Exact Mass225.09
IUPAC Namecarbamoyloxysulfonyl(triethyl)azanium
SMILESCC[N+](CC)(CC)S(=O)(=O)OC(N)=O
InChIInChI=1S/C7H16N2O4S/c1-4-9(5-2,6-3)14(11,12)13-7(8)10/h4-6H2,1-3H3,(H-,8,10)/p+1
InChIKeyLFJILNGWPWRYME-UHFFFAOYSA-O
XLogP0.20
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl hydrogen carbonate;triethyl(sulfamoyl)azanium
CID 87723486
triethyl(sulfo)azanium
CID 54129973
ethoxycarbonylsulfamoyl(triethyl)azanium
CID 4666391
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
ethanesulfonic acid;urea
CID 159375044
hydroxysilane;sulfo carbamate
CID 174435108
diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium
CID 87544610
carbamic acid;tetraethylazanium
CID 159284464
ethyl carbamate;platinum
CID 174699937
tetraethylazanium;urea;hydroxide
CID 175541942

Frequently Asked Questions

What is the IUPAC name of carbamoyloxysulfonyl(triethyl)azanium?
The IUPAC name of carbamoyloxysulfonyl(triethyl)azanium (CID 118981824) is carbamoyloxysulfonyl(triethyl)azanium.
What is the SMILES notation for carbamoyloxysulfonyl(triethyl)azanium?
The canonical SMILES for carbamoyloxysulfonyl(triethyl)azanium is CC[N+](CC)(CC)S(=O)(=O)OC(N)=O.
What is the InChIKey of carbamoyloxysulfonyl(triethyl)azanium?
The InChIKey is LFJILNGWPWRYME-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O4S/c1-4-9(5-2,6-3)14(11,12)13-7(8)10/h4-6H2,1-3H3,(H-,8,10)/p+1.
What are the key properties of carbamoyloxysulfonyl(triethyl)azanium?
carbamoyloxysulfonyl(triethyl)azanium has a molecular weight of 225.29 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyloxysulfonyl(triethyl)azanium is sourced from PubChem (CID 118981824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).