2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide

C9H20N4O3S — CID 77038973

IUPAC2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
SMILESCC(C)N(C)S(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C9H20N4O3S/c1-6(2)13(3)17(15,16)12-8(7-4-5-7)9(10)11-14/h6-8,12,14H,4-5H2,1-3H3,(H2,10,11)
InChIKeyMJPAPZPQYFMCDT-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.31
Rot. Bonds6

About 2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide

2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide (PubChem CID 77038973) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
PubChem CID77038973
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC Name2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
SMILESCC(C)N(C)S(=O)(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C9H20N4O3S/c1-6(2)13(3)17(15,16)12-8(7-4-5-7)9(10)11-14/h6-8,12,14H,4-5H2,1-3H3,(H2,10,11)
InChIKeyMJPAPZPQYFMCDT-UHFFFAOYSA-N
XLogP-0.31
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.31
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide (CID 77038973) is 2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide is CC(C)N(C)S(=O)(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The InChIKey is MJPAPZPQYFMCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-6(2)13(3)17(15,16)12-8(7-4-5-7)9(10)11-14/h6-8,12,14H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide has a molecular weight of 264.35 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide is sourced from PubChem (CID 77038973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).