2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide

C11H23N3O3S — CID 54947107

IUPAC2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
SMILESCCC(NS(=O)(=O)CC1CCCCC1)C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-2-10(11(12)13-15)14-18(16,17)8-9-6-4-3-5-7-9/h9-10,14-15H,2-8H2,1H3,(H2,12,13)
InChIKeyGYPMVFDRXCASNN-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.01
Rot. Bonds6

About 2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide

2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide (PubChem CID 54947107) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
PubChem CID54947107
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
SMILESCCC(NS(=O)(=O)CC1CCCCC1)C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-2-10(11(12)13-15)14-18(16,17)8-9-6-4-3-5-7-9/h9-10,14-15H,2-8H2,1H3,(H2,12,13)
InChIKeyGYPMVFDRXCASNN-UHFFFAOYSA-N
XLogP1.01
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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'}

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Related Compounds

2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 54947108
3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
CID 54947894
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide
CID 54947895
3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54991940
2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide
CID 55014493
3-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 55033284
3-(cyclohexylsulfonylamino)-N'-hydroxypentanimidamide
CID 55101689
4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 55102407
2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 55151780
2-(butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 55151969
3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
CID 55175312
2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 55233415

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide (CID 54947107) is 2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide is CCC(NS(=O)(=O)CC1CCCCC1)C(N)=NO.
What is the InChIKey of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide?
The InChIKey is GYPMVFDRXCASNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-2-10(11(12)13-15)14-18(16,17)8-9-6-4-3-5-7-9/h9-10,14-15H,2-8H2,1H3,(H2,12,13).
What are the key properties of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide?
2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide has a molecular weight of 277.39 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 54947107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).