N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide

C7H17N3O4S — CID 76953299

IUPACN'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
SMILESCOCCS(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C7H17N3O4S/c1-6(7(8)10-11)5-9-15(12,13)4-3-14-2/h6,9,11H,3-5H2,1-2H3,(H2,8,10)
InChIKeyPPULSYDTSDQNIP-UHFFFAOYSA-N
MW239.30 g/mol
LogP-1.07
Rot. Bonds7

About N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide

N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide (PubChem CID 76953299) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
PubChem CID76953299
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC NameN'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
SMILESCOCCS(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C7H17N3O4S/c1-6(7(8)10-11)5-9-15(12,13)4-3-14-2/h6,9,11H,3-5H2,1-2H3,(H2,8,10)
InChIKeyPPULSYDTSDQNIP-UHFFFAOYSA-N
XLogP-1.07
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide (CID 76953299) is N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide is COCCS(=O)(=O)NCC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide?
The InChIKey is PPULSYDTSDQNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4S/c1-6(7(8)10-11)5-9-15(12,13)4-3-14-2/h6,9,11H,3-5H2,1-2H3,(H2,8,10).
What are the key properties of N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide?
N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide has a molecular weight of 239.30 g/mol, XLogP of -1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide is sourced from PubChem (CID 76953299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).