2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide

C7H16N4O3S — CID 104978526

IUPAC2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
SMILESCCNS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C7H16N4O3S/c1-2-9-15(13,14)11-6(5-3-4-5)7(8)10-12/h5-6,9,11-12H,2-4H2,1H3,(H2,8,10)
InChIKeyOCVQAMJCJYFSKS-UHFFFAOYSA-N
MW236.30 g/mol
LogP-1.04
Rot. Bonds6

About 2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide

2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide (PubChem CID 104978526) has the molecular formula C7H16N4O3S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
PubChem CID104978526
Molecular FormulaC7H16N4O3S
Molecular Weight236.30 g/mol
Exact Mass236.09
IUPAC Name2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
SMILESCCNS(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C7H16N4O3S/c1-2-9-15(13,14)11-6(5-3-4-5)7(8)10-12/h5-6,9,11-12H,2-4H2,1H3,(H2,8,10)
InChIKeyOCVQAMJCJYFSKS-UHFFFAOYSA-N
XLogP-1.04
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 5-1.04
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-Cyclopropyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64427201
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
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-N'-hydroxy-2-(methanesulfonamido)ethanimidamide
CID 77039127
2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978262
2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978269

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide (CID 104978526) is 2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide is CCNS(=O)(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide?
The InChIKey is OCVQAMJCJYFSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3S/c1-2-9-15(13,14)11-6(5-3-4-5)7(8)10-12/h5-6,9,11-12H,2-4H2,1H3,(H2,8,10).
What are the key properties of 2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide?
2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide has a molecular weight of 236.30 g/mol, XLogP of -1.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 104978526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).