3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

C8H15F3N4O2S — CID 114813474

IUPAC3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C1CC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N4O2S/c9-8(10,11)5-14-18(16,17)15(6-1-2-6)4-3-7(12)13/h6,14H,1-5H2,(H3,12,13)
InChIKeyXXQOZLBKUZUMDI-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.17
Rot. Bonds7

About 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (PubChem CID 114813474) has the molecular formula C8H15F3N4O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
PubChem CID114813474
Molecular FormulaC8H15F3N4O2S
Molecular Weight288.30 g/mol
Exact Mass288.09
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C1CC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N4O2S/c9-8(10,11)5-14-18(16,17)15(6-1-2-6)4-3-7(12)13/h6,14H,1-5H2,(H3,12,13)
InChIKeyXXQOZLBKUZUMDI-UHFFFAOYSA-N
XLogP0.17
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (CID 114813474) is 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is [H]/N=C(\N)CCN(C1CC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The InChIKey is XXQOZLBKUZUMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4O2S/c9-8(10,11)5-14-18(16,17)15(6-1-2-6)4-3-7(12)13/h6,14H,1-5H2,(H3,12,13).
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide has a molecular weight of 288.30 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 114813474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).