2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide

C11H23N3O4S — CID 55014493

IUPAC2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide
SMILESCOCCS(=O)(=O)NC(/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C11H23N3O4S/c1-18-7-8-19(16,17)14-10(11(12)13-15)9-5-3-2-4-6-9/h9-10,14-15H,2-8H2,1H3,(H2,12,13)
InChIKeyRTFZANAJBYMNLH-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.25
Rot. Bonds7

About 2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide

2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide (PubChem CID 55014493) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide
PubChem CID55014493
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide
SMILESCOCCS(=O)(=O)NC(/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C11H23N3O4S/c1-18-7-8-19(16,17)14-10(11(12)13-15)9-5-3-2-4-6-9/h9-10,14-15H,2-8H2,1H3,(H2,12,13)
InChIKeyRTFZANAJBYMNLH-UHFFFAOYSA-N
XLogP0.25
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.25
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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Related Compounds

2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 54947107
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide
CID 54947895
N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
CID 55014543
N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide
CID 55014544
3-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 55033284
2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 55233415
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide
CID 61454516
2-Cyclohexyl-2-(3-methylbutylsulfonylamino)ethanimidamide
CID 64406537
2-Cyclohexyl-2-(ethylsulfonylamino)ethanimidamide
CID 64406539
2-Cyclohexyl-2-(propylsulfonylamino)ethanimidamide
CID 64407372
2-(Butylsulfonylamino)-2-cyclohexylethanimidamide
CID 64407373
2-Cyclohexyl-2-(propan-2-ylsulfonylamino)ethanimidamide
CID 64408004

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide?
The IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide (CID 55014493) is 2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide.
What is the SMILES notation for 2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide?
The canonical SMILES for 2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide is COCCS(=O)(=O)NC(/C(N)=N/O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide?
The InChIKey is RTFZANAJBYMNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-18-7-8-19(16,17)14-10(11(12)13-15)9-5-3-2-4-6-9/h9-10,14-15H,2-8H2,1H3,(H2,12,13).
What are the key properties of 2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide?
2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide has a molecular weight of 293.39 g/mol, XLogP of 0.25, 7 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-(2-methoxyethylsulfonylamino)ethanimidamide is sourced from PubChem (CID 55014493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).