diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide

C8H20N2O5S — CID 87623713

IUPACdiethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide
SMILESCC[N+](CC)(CCC(=O)OC)S(N)(=O)=O.[OH-]
InChIInChI=1S/C8H19N2O4S.H2O/c1-4-10(5-2,15(9,12)13)7-6-8(11)14-3;/h4-7H2,1-3H3,(H2,9,12,13);1H2/q+1;/p-1
InChIKeyGUNFPWQOIAUMBV-UHFFFAOYSA-M
MW256.32 g/mol
LogP-0.57
Rot. Bonds6

About diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide

diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide (PubChem CID 87623713) has the molecular formula C8H20N2O5S and a molecular weight of 256.32 g/mol. Its IUPAC name is diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide.

Molecular Properties

Compound Namediethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide
PubChem CID87623713
Molecular FormulaC8H20N2O5S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC Namediethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide
SMILESCC[N+](CC)(CCC(=O)OC)S(N)(=O)=O.[OH-]
InChIInChI=1S/C8H19N2O4S.H2O/c1-4-10(5-2,15(9,12)13)7-6-8(11)14-3;/h4-7H2,1-3H3,(H2,9,12,13);1H2/q+1;/p-1
InChIKeyGUNFPWQOIAUMBV-UHFFFAOYSA-M
XLogP-0.57
TPSA116.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 65685921
CID 65685921
CID 65686147
CID 65686147
CID 57236195
CID 57236195
CID 86641822
CID 86641822
CID 87544609
CID 87544609
CID 151368864
CID 151368864
CID 172799211
CID 172799211
CID 54899559
CID 54899559
CID 54899653
CID 54899653
CID 54899697
CID 54899697
CID 54899750
CID 54899750
CID 54942110
CID 54942110

Frequently Asked Questions

What is the IUPAC name of diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide?
The IUPAC name of diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide (CID 87623713) is diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide.
What is the SMILES notation for diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide?
The canonical SMILES for diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide is CC[N+](CC)(CCC(=O)OC)S(N)(=O)=O.[OH-].
What is the InChIKey of diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide?
The InChIKey is GUNFPWQOIAUMBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19N2O4S.H2O/c1-4-10(5-2,15(9,12)13)7-6-8(11)14-3;/h4-7H2,1-3H3,(H2,9,12,13);1H2/q+1;/p-1.
What are the key properties of diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide?
diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide has a molecular weight of 256.32 g/mol, XLogP of -0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide is sourced from PubChem (CID 87623713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).