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

C9H20N4O3S — CID 104978256

IUPAC2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
SMILESCNS(=O)(=O)NC(C(N)=NO)C1CCCCC1
InChIInChI=1S/C9H20N4O3S/c1-11-17(15,16)13-8(9(10)12-14)7-5-3-2-4-6-7/h7-8,11,13-14H,2-6H2,1H3,(H2,10,12)
InChIKeyJKIKYBNLJCAPGR-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.26
Rot. Bonds5

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

2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide (PubChem CID 104978256) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
PubChem CID104978256
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC Name2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
SMILESCNS(=O)(=O)NC(C(N)=NO)C1CCCCC1
InChIInChI=1S/C9H20N4O3S/c1-11-17(15,16)13-8(9(10)12-14)7-5-3-2-4-6-7/h7-8,11,13-14H,2-6H2,1H3,(H2,10,12)
InChIKeyJKIKYBNLJCAPGR-UHFFFAOYSA-N
XLogP-0.26
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
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-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978259
3-Cyclohexyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
CID 17550298
2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 55233415
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 61453719
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide
CID 61454516
2-Cyclohexyl-2-(dimethylsulfamoylamino)ethanimidamide
CID 64405702
2-Cyclohexyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64406330
2-Cyclohexyl-2-(diethylsulfamoylamino)ethanimidamide
CID 64408207
2-amino-2-cyclohexyl-N'-hydroxyethanimidamide
CID 64981651
2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 76217808
2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 76904454
N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 76904458

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide (CID 104978256) is 2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide is CNS(=O)(=O)NC(C(N)=NO)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
The InChIKey is JKIKYBNLJCAPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-11-17(15,16)13-8(9(10)12-14)7-5-3-2-4-6-7/h7-8,11,13-14H,2-6H2,1H3,(H2,10,12).
What are the key properties of 2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide has a molecular weight of 264.35 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 104978256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).