2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide

C11H23N3O3S — CID 54947108

IUPAC2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(NS(=O)(=O)CC1CCCCC1)C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-11(2,10(12)13-15)14-18(16,17)8-9-6-4-3-5-7-9/h9,14-15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyRDOHKQVTTWYCOS-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.01
Rot. Bonds5

About 2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide

2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 54947108) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID54947108
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(NS(=O)(=O)CC1CCCCC1)C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-11(2,10(12)13-15)14-18(16,17)8-9-6-4-3-5-7-9/h9,14-15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyRDOHKQVTTWYCOS-UHFFFAOYSA-N
XLogP1.01
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.01
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'}

Analyze 2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
CID 83047154
2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 54947107
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide
CID 54947895
N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
CID 55014543
3-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 55033284
1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 55233416
N'-hydroxy-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboximidamide
CID 55261691
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide
CID 61454516
2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide
CID 61454549
2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide
CID 61454583
4-Methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboximidamide
CID 64406125
2-(Cyclohexylmethylsulfonylamino)-2-ethylbutanimidamide
CID 64406327

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide (CID 54947108) is 2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide is CC(C)(NS(=O)(=O)CC1CCCCC1)C(N)=NO.
What is the InChIKey of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is RDOHKQVTTWYCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-11(2,10(12)13-15)14-18(16,17)8-9-6-4-3-5-7-9/h9,14-15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 277.39 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 54947108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).