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

C6H14N4O3S — CID 104978523

IUPAC2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
SMILESCNS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C6H14N4O3S/c1-8-14(12,13)10-5(4-2-3-4)6(7)9-11/h4-5,8,10-11H,2-3H2,1H3,(H2,7,9)
InChIKeyMHAZXMGKROEOQM-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.43
Rot. Bonds5

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

2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide (PubChem CID 104978523) has the molecular formula C6H14N4O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
PubChem CID104978523
Molecular FormulaC6H14N4O3S
Molecular Weight222.27 g/mol
Exact Mass222.08
IUPAC Name2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
SMILESCNS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C6H14N4O3S/c1-8-14(12,13)10-5(4-2-3-4)6(7)9-11/h4-5,8,10-11H,2-3H2,1H3,(H2,7,9)
InChIKeyMHAZXMGKROEOQM-UHFFFAOYSA-N
XLogP-1.43
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.43
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
2-Cyclopropyl-2-(dimethylsulfamoylamino)ethanimidamide
CID 64426807
2-amino-2-cyclopropyl-N-hydroxyethanimidamide
CID 64981101
2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038497
2-(tert-butylsulfonylamino)-2-cyclopropyl-N'-hydroxyethanimidamide
CID 77038500
2-cyclopropyl-2-(diethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 77038893
2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 77038973
2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 77038979
2-cyclopropyl-2-(ethylsulfonylamino)-N'-hydroxyethanimidamide
CID 77038983
2-cyclopropyl-N'-hydroxy-2-(methanesulfonamido)ethanimidamide
CID 77039127
CID 77052245
CID 77052245
2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978262

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide (CID 104978523) is 2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide is CNS(=O)(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
The InChIKey is MHAZXMGKROEOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O3S/c1-8-14(12,13)10-5(4-2-3-4)6(7)9-11/h4-5,8,10-11H,2-3H2,1H3,(H2,7,9).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide has a molecular weight of 222.27 g/mol, XLogP of -1.43, 5 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-(methylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 104978523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).