2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide

C12H26N4O3S — CID 76904454

IUPAC2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
SMILESCC(C)N(C)S(=O)(=O)NC(C(N)=NO)C1CCCCC1
InChIInChI=1S/C12H26N4O3S/c1-9(2)16(3)20(18,19)15-11(12(13)14-17)10-7-5-4-6-8-10/h9-11,15,17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyODEVHWMVYNJPSX-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.86
Rot. Bonds6

About 2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide

2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide (PubChem CID 76904454) has the molecular formula C12H26N4O3S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
PubChem CID76904454
Molecular FormulaC12H26N4O3S
Molecular Weight306.43 g/mol
Exact Mass306.17
IUPAC Name2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
SMILESCC(C)N(C)S(=O)(=O)NC(C(N)=NO)C1CCCCC1
InChIInChI=1S/C12H26N4O3S/c1-9(2)16(3)20(18,19)15-11(12(13)14-17)10-7-5-4-6-8-10/h9-11,15,17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyODEVHWMVYNJPSX-UHFFFAOYSA-N
XLogP0.86
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The IUPAC name of 2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide (CID 76904454) is 2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide.
What is the SMILES notation for 2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The canonical SMILES for 2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide is CC(C)N(C)S(=O)(=O)NC(C(N)=NO)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The InChIKey is ODEVHWMVYNJPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3S/c1-9(2)16(3)20(18,19)15-11(12(13)14-17)10-7-5-4-6-8-10/h9-11,15,17H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide has a molecular weight of 306.43 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide is sourced from PubChem (CID 76904454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).