2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide

C9H19N3O4S — CID 77038259

IUPAC2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide
SMILESCOCCCS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C9H19N3O4S/c1-16-5-2-6-17(14,15)12-8(7-3-4-7)9(10)11-13/h7-8,12-13H,2-6H2,1H3,(H2,10,11)
InChIKeyMFUQBGNNEUCAQQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.53
Rot. Bonds8

About 2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide

2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide (PubChem CID 77038259) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide
PubChem CID77038259
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Name2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide
SMILESCOCCCS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C9H19N3O4S/c1-16-5-2-6-17(14,15)12-8(7-3-4-7)9(10)11-13/h7-8,12-13H,2-6H2,1H3,(H2,10,11)
InChIKeyMFUQBGNNEUCAQQ-UHFFFAOYSA-N
XLogP-0.53
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N'-hydroxy-2-(3-methoxypropylsulfonylamino)-3-methylbutanimidamide
CID 77038730
2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide
CID 76988697
N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide
CID 76994145
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide
CID 77039366
2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 77038973
2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide
CID 55014070
2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
CID 104985748
2-cyclohexyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 104978261
N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
CID 77036941
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide
CID 77012577
N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
CID 76953299

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide (CID 77038259) is 2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide is COCCCS(=O)(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide?
The InChIKey is MFUQBGNNEUCAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-16-5-2-6-17(14,15)12-8(7-3-4-7)9(10)11-13/h7-8,12-13H,2-6H2,1H3,(H2,10,11).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide has a molecular weight of 265.33 g/mol, XLogP of -0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide is sourced from PubChem (CID 77038259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).