N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide

C9H21N3O5S — CID 55173256

IUPACN'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide
SMILESCOCCN(CC/C(N)=N/O)S(=O)(=O)CCOC
InChIInChI=1S/C9H21N3O5S/c1-16-6-5-12(4-3-9(10)11-13)18(14,15)8-7-17-2/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyQRXICHXAADLIAW-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.95
Rot. Bonds10

About N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide (PubChem CID 55173256) has the molecular formula C9H21N3O5S and a molecular weight of 283.35 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide
PubChem CID55173256
Molecular FormulaC9H21N3O5S
Molecular Weight283.35 g/mol
Exact Mass283.12
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide
SMILESCOCCN(CC/C(N)=N/O)S(=O)(=O)CCOC
InChIInChI=1S/C9H21N3O5S/c1-16-6-5-12(4-3-9(10)11-13)18(14,15)8-7-17-2/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyQRXICHXAADLIAW-UHFFFAOYSA-N
XLogP-0.95
TPSA114.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide (CID 55173256) is N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide is COCCN(CC/C(N)=N/O)S(=O)(=O)CCOC.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide?
The InChIKey is QRXICHXAADLIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O5S/c1-16-6-5-12(4-3-9(10)11-13)18(14,15)8-7-17-2/h13H,3-8H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide has a molecular weight of 283.35 g/mol, XLogP of -0.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(2-methoxyethylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 55173256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).