2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide

C8H18N4O3S — CID 104978527

IUPAC2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
SMILESCC(C)NS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C8H18N4O3S/c1-5(2)11-16(14,15)12-7(6-3-4-6)8(9)10-13/h5-7,11-13H,3-4H2,1-2H3,(H2,9,10)
InChIKeyGUVHSXWNRZJETQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.66
Rot. Bonds6

About 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide

2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide (PubChem CID 104978527) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
PubChem CID104978527
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
SMILESCC(C)NS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C8H18N4O3S/c1-5(2)11-16(14,15)12-7(6-3-4-6)8(9)10-13/h5-7,11-13H,3-4H2,1-2H3,(H2,9,10)
InChIKeyGUVHSXWNRZJETQ-UHFFFAOYSA-N
XLogP-0.66
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.66
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-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978525
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
2-Cyclopropyl-2-(dimethylsulfamoylamino)ethanimidamide
CID 64426807
2-Cyclopropyl-2-(diethylsulfamoylamino)ethanimidamide
CID 64426816
2-Cyclopropyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64427201
2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide
CID 77038257
2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide
CID 77038258
2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfonylamino)ethanimidamide
CID 77038419
2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038489
2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038497
2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide
CID 77038500
N'-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 77038575

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide (CID 104978527) is 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide is CC(C)NS(=O)(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide?
The InChIKey is GUVHSXWNRZJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-5(2)11-16(14,15)12-7(6-3-4-6)8(9)10-13/h5-7,11-13H,3-4H2,1-2H3,(H2,9,10).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide has a molecular weight of 250.32 g/mol, XLogP of -0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 104978527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).