diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium

C8H20N3O4S+ — CID 87544610

IUPACdiethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium
SMILESCC[N+](CC)(CCC(=O)OC)S(=O)(=O)NN
InChIInChI=1S/C8H20N3O4S/c1-4-11(5-2,16(13,14)10-9)7-6-8(12)15-3/h10H,4-7,9H2,1-3H3/q+1
InChIKeyMJUIOMYPLUYHRX-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.89
Rot. Bonds7

About diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium

diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium (PubChem CID 87544610) has the molecular formula C8H20N3O4S+ and a molecular weight of 254.33 g/mol. Its IUPAC name is diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium.

Molecular Properties

Compound Namediethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium
PubChem CID87544610
Molecular FormulaC8H20N3O4S+
Molecular Weight254.33 g/mol
Exact Mass254.12
IUPAC Namediethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium
SMILESCC[N+](CC)(CCC(=O)OC)S(=O)(=O)NN
InChIInChI=1S/C8H20N3O4S/c1-4-11(5-2,16(13,14)10-9)7-6-8(12)15-3/h10H,4-7,9H2,1-3H3/q+1
InChIKeyMJUIOMYPLUYHRX-UHFFFAOYSA-N
XLogP-0.89
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-O-ethyl 1-O-methyl butanedioate
CID 522068
methyl 3-ethylsulfonylpropanoate
CID 19377555
methyl hydrogen carbonate;triethyl(sulfamoyl)azanium
CID 87723486
methyl 3-sulfamoylpropanoate
CID 16787339
methyl 3-methoxysulfonylpropanoate
CID 11019488
bis(3-methoxy-3-oxopropyl)-oxotin
CID 87238891
ethoxycarbonylsulfamoyl(triethyl)azanium
CID 4666391
ethyl 5-(2-methoxy-2-oxoethyl)sulfonyl-4-oxopentanoate
CID 103485795
chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582
hydrazine;methyl pentanoate
CID 88709772
ethyl 4-(3-methoxy-3-oxopropyl)sulfonyl-3-oxobutanoate
CID 64636908

Frequently Asked Questions

What is the IUPAC name of diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium?
The IUPAC name of diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium (CID 87544610) is diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium.
What is the SMILES notation for diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium?
The canonical SMILES for diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium is CC[N+](CC)(CCC(=O)OC)S(=O)(=O)NN.
What is the InChIKey of diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium?
The InChIKey is MJUIOMYPLUYHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N3O4S/c1-4-11(5-2,16(13,14)10-9)7-6-8(12)15-3/h10H,4-7,9H2,1-3H3/q+1.
What are the key properties of diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium?
diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium has a molecular weight of 254.33 g/mol, XLogP of -0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium is sourced from PubChem (CID 87544610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).