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

C11H23N3O5S2 — CID 76988697

IUPAC2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC(C(N)=NO)C1CCCCC1
InChIInChI=1S/C11H23N3O5S2/c1-20(16,17)7-8-21(18,19)14-10(11(12)13-15)9-5-3-2-4-6-9/h9-10,14-15H,2-8H2,1H3,(H2,12,13)
InChIKeyQAUJQNJKUVBBRK-UHFFFAOYSA-N
MW341.46 g/mol
LogP-0.35
Rot. Bonds7

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

2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide (PubChem CID 76988697) has the molecular formula C11H23N3O5S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide
PubChem CID76988697
Molecular FormulaC11H23N3O5S2
Molecular Weight341.46 g/mol
Exact Mass341.11
IUPAC Name2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC(C(N)=NO)C1CCCCC1
InChIInChI=1S/C11H23N3O5S2/c1-20(16,17)7-8-21(18,19)14-10(11(12)13-15)9-5-3-2-4-6-9/h9-10,14-15H,2-8H2,1H3,(H2,12,13)
InChIKeyQAUJQNJKUVBBRK-UHFFFAOYSA-N
XLogP-0.35
TPSA138.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid
CID 63245001
2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
CID 104985748
2-cyclohexyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 104978261
2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide
CID 77038259
2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide
CID 76932004
2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide
CID 55014070
2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 77038973
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
CID 77039187
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940415
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-methylcyclopentane-1-carboxamide
CID 107182710
2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61358761

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide?
The IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide (CID 76988697) is 2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide.
What is the SMILES notation for 2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide?
The canonical SMILES for 2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide is CS(=O)(=O)CCS(=O)(=O)NC(C(N)=NO)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide?
The InChIKey is QAUJQNJKUVBBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5S2/c1-20(16,17)7-8-21(18,19)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-methylsulfonylethylsulfonylamino)ethanimidamide?
2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide has a molecular weight of 341.46 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide is sourced from PubChem (CID 76988697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).