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

C8H18N4O3S — CID 104985748

IUPAC2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
SMILESNC(=NO)C(NS(N)(=O)=O)C1CCCCC1
InChIInChI=1S/C8H18N4O3S/c9-8(11-13)7(12-16(10,14)15)6-4-2-1-3-5-6/h6-7,12-13H,1-5H2,(H2,9,11)(H2,10,14,15)
InChIKeyCHGVWLUJAJEQIF-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.53
Rot. Bonds4

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

2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide (PubChem CID 104985748) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
PubChem CID104985748
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
SMILESNC(=NO)C(NS(N)(=O)=O)C1CCCCC1
InChIInChI=1S/C8H18N4O3S/c9-8(11-13)7(12-16(10,14)15)6-4-2-1-3-5-6/h6-7,12-13H,1-5H2,(H2,9,11)(H2,10,14,15)
InChIKeyCHGVWLUJAJEQIF-UHFFFAOYSA-N
XLogP-0.53
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.53
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-(propan-2-ylsulfamoylamino)ethanimidamide
CID 104978261
2-cyclohexyl-N'-hydroxy-2-(oxan-4-ylsulfonylamino)ethanimidamide
CID 76932004
2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide
CID 76988697
2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 77038973
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
CID 77039187
[(1S)-1-(sulfamoylamino)ethyl]cyclohexane
CID 103935966
2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide
CID 77038259
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-methylcyclopentane-1-carboxamide
CID 107182710
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
[3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane
CID 111383997
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940415
2-cyclopropyl-2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide
CID 77038892

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide (CID 104985748) is 2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide is NC(=NO)C(NS(N)(=O)=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide?
The InChIKey is CHGVWLUJAJEQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c9-8(11-13)7(12-16(10,14)15)6-4-2-1-3-5-6/h6-7,12-13H,1-5H2,(H2,9,11)(H2,10,14,15).
What are the key properties of 2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide?
2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide has a molecular weight of 250.32 g/mol, XLogP of -0.53, 4 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-(sulfamoylamino)ethanimidamide is sourced from PubChem (CID 104985748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).