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

C7H16N4O3S — CID 77038979

IUPAC2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide
SMILESCN(C)S(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C7H16N4O3S/c1-11(2)15(13,14)10-6(5-3-4-5)7(8)9-12/h5-6,10,12H,3-4H2,1-2H3,(H2,8,9)
InChIKeyPENABXJGEHOZQR-UHFFFAOYSA-N
MW236.30 g/mol
LogP-1.09
Rot. Bonds5

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

2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide (PubChem CID 77038979) has the molecular formula C7H16N4O3S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide
PubChem CID77038979
Molecular FormulaC7H16N4O3S
Molecular Weight236.30 g/mol
Exact Mass236.09
IUPAC Name2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide
SMILESCN(C)S(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C7H16N4O3S/c1-11(2)15(13,14)10-6(5-3-4-5)7(8)9-12/h5-6,10,12H,3-4H2,1-2H3,(H2,8,9)
InChIKeyPENABXJGEHOZQR-UHFFFAOYSA-N
XLogP-1.09
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
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
3-(dimethylsulfamoylamino)-N'-hydroxypentanimidamide
CID 76947941
N'-hydroxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 77036891
2-cyclopropyl-N'-hydroxy-2-(piperidin-1-ylsulfonylamino)ethanimidamide
CID 77038257
2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide
CID 77038258
N'-hydroxy-3-methyl-2-(piperidin-1-ylsulfonylamino)butanimidamide
CID 77038412
2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038489
2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038497

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide (CID 77038979) is 2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide is CN(C)S(=O)(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide?
The InChIKey is PENABXJGEHOZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3S/c1-11(2)15(13,14)10-6(5-3-4-5)7(8)9-12/h5-6,10,12H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide?
2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide has a molecular weight of 236.30 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 77038979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).