3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide

C7H15F3N4O2S — CID 114813431

IUPAC3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N4O2S/c1-2-5(3-6(11)12)14-17(15,16)13-4-7(8,9)10/h5,13-14H,2-4H2,1H3,(H3,11,12)
InChIKeyIACXUMBCWKSJGO-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.08
Rot. Bonds7

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

3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide (PubChem CID 114813431) has the molecular formula C7H15F3N4O2S and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
PubChem CID114813431
Molecular FormulaC7H15F3N4O2S
Molecular Weight276.28 g/mol
Exact Mass276.09
IUPAC Name3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N4O2S/c1-2-5(3-6(11)12)14-17(15,16)13-4-7(8,9)10/h5,13-14H,2-4H2,1H3,(H3,11,12)
InChIKeyIACXUMBCWKSJGO-UHFFFAOYSA-N
XLogP0.08
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.08
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

2-(Difluoromethylsulfonylamino)pentanimidamide
CID 64406558
3-(Difluoromethylsulfonylamino)butanimidamide
CID 64408323
3-(Difluoromethylsulfonylamino)pentanimidamide
CID 64408457
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
CID 104978279
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978412
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
CID 113637630
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 113637731
2-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 113637756
5-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 113637778
3-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813151
3-(2,2,2-Trifluoroethylsulfamoylamino)propanimidamide
CID 114813209
4-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813337

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide (CID 114813431) is 3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide is [H]/N=C(\N)CC(CC)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide?
The InChIKey is IACXUMBCWKSJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O2S/c1-2-5(3-6(11)12)14-17(15,16)13-4-7(8,9)10/h5,13-14H,2-4H2,1H3,(H3,11,12).
What are the key properties of 3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide?
3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide has a molecular weight of 276.28 g/mol, XLogP of 0.08, 7 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)pentanimidamide is sourced from PubChem (CID 114813431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).