N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide

C11H23N3O4S — CID 55014544

IUPACN'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide
SMILESCOCCS(=O)(=O)NC1(/C(N)=N/O)CCC(C)CC1
InChIInChI=1S/C11H23N3O4S/c1-9-3-5-11(6-4-9,10(12)13-15)14-19(16,17)8-7-18-2/h9,14-15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyVZYUTNRGUMIJTF-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.25
Rot. Bonds6

About N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide

N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide (PubChem CID 55014544) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide
PubChem CID55014544
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC NameN'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide
SMILESCOCCS(=O)(=O)NC1(/C(N)=N/O)CCC(C)CC1
InChIInChI=1S/C11H23N3O4S/c1-9-3-5-11(6-4-9,10(12)13-15)14-19(16,17)8-7-18-2/h9,14-15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyVZYUTNRGUMIJTF-UHFFFAOYSA-N
XLogP0.25
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide (CID 55014544) is N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide is COCCS(=O)(=O)NC1(/C(N)=N/O)CCC(C)CC1.
What is the InChIKey of N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide?
The InChIKey is VZYUTNRGUMIJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-9-3-5-11(6-4-9,10(12)13-15)14-19(16,17)8-7-18-2/h9,14-15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide?
N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide has a molecular weight of 293.39 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-methoxyethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide is sourced from PubChem (CID 55014544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).