2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide

C13H25N3O4S — CID 76932004

IUPAC2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)C1CCOCC1)C1CCCCC1
InChIInChI=1S/C13H25N3O4S/c14-13(15-17)12(10-4-2-1-3-5-10)16-21(18,19)11-6-8-20-9-7-11/h10-12,16-17H,1-9H2,(H2,14,15)
InChIKeyDIFDTSGDGBXFDF-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.78
Rot. Bonds5

About 2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide

2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide (PubChem CID 76932004) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide
PubChem CID76932004
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)C1CCOCC1)C1CCCCC1
InChIInChI=1S/C13H25N3O4S/c14-13(15-17)12(10-4-2-1-3-5-10)16-21(18,19)11-6-8-20-9-7-11/h10-12,16-17H,1-9H2,(H2,14,15)
InChIKeyDIFDTSGDGBXFDF-UHFFFAOYSA-N
XLogP0.78
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.78
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide?
The IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide (CID 76932004) is 2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide.
What is the SMILES notation for 2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide?
The canonical SMILES for 2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide is NC(=NO)C(NS(=O)(=O)C1CCOCC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide?
The InChIKey is DIFDTSGDGBXFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c14-13(15-17)12(10-4-2-1-3-5-10)16-21(18,19)11-6-8-20-9-7-11/h10-12,16-17H,1-9H2,(H2,14,15).
What are the key properties of 2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide?
2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide has a molecular weight of 319.43 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide is sourced from PubChem (CID 76932004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).