3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

C5H11F3N4O2S — CID 114813209

IUPAC3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N4O2S/c6-5(7,8)3-12-15(13,14)11-2-1-4(9)10/h11-12H,1-3H2,(H3,9,10)
InChIKeyLVVVSCHZGCQQRL-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.70
Rot. Bonds6

About 3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (PubChem CID 114813209) has the molecular formula C5H11F3N4O2S and a molecular weight of 248.23 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
PubChem CID114813209
Molecular FormulaC5H11F3N4O2S
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N4O2S/c6-5(7,8)3-12-15(13,14)11-2-1-4(9)10/h11-12H,1-3H2,(H3,9,10)
InChIKeyLVVVSCHZGCQQRL-UHFFFAOYSA-N
XLogP-0.70
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
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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Related Compounds

3-(Difluoromethylsulfonylamino)propanimidamide
CID 64407945
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978425
N'-hydroxy-4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637629
5-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 113637778
3-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813151
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813229
2-(2,2,2-Trifluoroethylsulfamoylamino)ethanimidamide
CID 114813247
2-Methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813254
4-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813337
2-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813344
2-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813351
3-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 114813431

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (CID 114813209) is 3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is [H]/N=C(\N)CCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The InChIKey is LVVVSCHZGCQQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N4O2S/c6-5(7,8)3-12-15(13,14)11-2-1-4(9)10/h11-12H,1-3H2,(H3,9,10).
What are the key properties of 3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide has a molecular weight of 248.23 g/mol, XLogP of -0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).