2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide

C8H18N4O3S — CID 104978524

IUPAC2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
SMILESCCCNS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C8H18N4O3S/c1-2-5-10-16(14,15)12-7(6-3-4-6)8(9)11-13/h6-7,10,12-13H,2-5H2,1H3,(H2,9,11)
InChIKeyMZTGNQXTRMQBAQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.65
Rot. Bonds7

About 2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide

2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide (PubChem CID 104978524) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
PubChem CID104978524
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
SMILESCCCNS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C8H18N4O3S/c1-2-5-10-16(14,15)12-7(6-3-4-6)8(9)11-13/h6-7,10,12-13H,2-5H2,1H3,(H2,9,11)
InChIKeyMZTGNQXTRMQBAQ-UHFFFAOYSA-N
XLogP-0.65
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.65
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-(propylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide (CID 104978524) is 2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide is CCCNS(=O)(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide?
The InChIKey is MZTGNQXTRMQBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-2-5-10-16(14,15)12-7(6-3-4-6)8(9)11-13/h6-7,10,12-13H,2-5H2,1H3,(H2,9,11).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide has a molecular weight of 250.32 g/mol, XLogP of -0.65, 7 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-(propylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 104978524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).