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

C8H21N3O5S — CID 87544609

IUPACdiethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide
SMILESCC[N+](CC)(CCC(=O)OC)S(=O)(=O)NN.[OH-]
InChIInChI=1S/C8H20N3O4S.H2O/c1-4-11(5-2,16(13,14)10-9)7-6-8(12)15-3;/h10H,4-7,9H2,1-3H3;1H2/q+1;/p-1
InChIKeyCIQLBYYZVZVYLL-UHFFFAOYSA-M
MW271.34 g/mol
LogP-1.06
Rot. Bonds7

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

diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide (PubChem CID 87544609) has the molecular formula C8H21N3O5S and a molecular weight of 271.34 g/mol. Its IUPAC name is diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide.

Molecular Properties

Compound Namediethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide
PubChem CID87544609
Molecular FormulaC8H21N3O5S
Molecular Weight271.34 g/mol
Exact Mass271.12
IUPAC Namediethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide
SMILESCC[N+](CC)(CCC(=O)OC)S(=O)(=O)NN.[OH-]
InChIInChI=1S/C8H20N3O4S.H2O/c1-4-11(5-2,16(13,14)10-9)7-6-8(12)15-3;/h10H,4-7,9H2,1-3H3;1H2/q+1;/p-1
InChIKeyCIQLBYYZVZVYLL-UHFFFAOYSA-M
XLogP-1.06
TPSA128.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide?
The IUPAC name of diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide (CID 87544609) is diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide.
What is the SMILES notation for diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide?
The canonical SMILES for diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide is CC[N+](CC)(CCC(=O)OC)S(=O)(=O)NN.[OH-].
What is the InChIKey of diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide?
The InChIKey is CIQLBYYZVZVYLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N3O4S.H2O/c1-4-11(5-2,16(13,14)10-9)7-6-8(12)15-3;/h10H,4-7,9H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide?
diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide has a molecular weight of 271.34 g/mol, XLogP of -1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(hydrazinesulfonyl)-(3-methoxy-3-oxopropyl)azanium hydroxide is sourced from PubChem (CID 87544609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).