4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide

C6H13F3N4O2S — CID 114813337

IUPAC4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c7-6(8,9)4-13-16(14,15)12-3-1-2-5(10)11/h12-13H,1-4H2,(H3,10,11)
InChIKeyDIJLXTOJNATFAB-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.31
Rot. Bonds7

About 4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide

4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (PubChem CID 114813337) has the molecular formula C6H13F3N4O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
PubChem CID114813337
Molecular FormulaC6H13F3N4O2S
Molecular Weight262.26 g/mol
Exact Mass262.07
IUPAC Name4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c7-6(8,9)4-13-16(14,15)12-3-1-2-5(10)11/h12-13H,1-4H2,(H3,10,11)
InChIKeyDIJLXTOJNATFAB-UHFFFAOYSA-N
XLogP-0.31
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Difluoromethylsulfonylamino)butanimidamide
CID 64407177
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978425
N'-hydroxy-4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637629
N'-hydroxy-5-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
CID 113637647
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
2-(2,2,2-Trifluoroethylsulfamoylamino)ethanimidamide
CID 114813247
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 4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (CID 114813337) is 4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is [H]/N=C(\N)CCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The InChIKey is DIJLXTOJNATFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4O2S/c7-6(8,9)4-13-16(14,15)12-3-1-2-5(10)11/h12-13H,1-4H2,(H3,10,11).
What are the key properties of 4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide has a molecular weight of 262.26 g/mol, XLogP of -0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is sourced from PubChem (CID 114813337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).