4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide

C8H16F3N3O2S — CID 83058260

IUPAC4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)CCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)4-2-6-17(15,16)14-5-1-3-7(12)13/h14H,1-6H2,(H3,12,13)
InChIKeyXETFFVQWHRQEAQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.96
Rot. Bonds8

About 4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide

4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide (PubChem CID 83058260) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
PubChem CID83058260
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Name4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)CCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)4-2-6-17(15,16)14-5-1-3-7(12)13/h14H,1-6H2,(H3,12,13)
InChIKeyXETFFVQWHRQEAQ-UHFFFAOYSA-N
XLogP0.96
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.96
H-Bond Donors ≤ 53
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
3-(Difluoromethylsulfonylamino)propanimidamide
CID 64407945
5-(Difluoromethylsulfonylamino)pentanimidamide
CID 64421177
3-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83058121
5-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058261
2-Methyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
CID 83058406
2-(4,4,4-Trifluorobutylsulfonylamino)butanimidamide
CID 83058407
2-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058547
3-(4,4,4-Trifluorobutylsulfonylamino)butanimidamide
CID 83058820
N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
CID 83058937
3-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058951
2-(4,4,4-Trifluorobutylsulfonylamino)propanimidamide
CID 83058952

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The IUPAC name of 4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide (CID 83058260) is 4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide.
What is the SMILES notation for 4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The canonical SMILES for 4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide is [H]/N=C(\N)CCCNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The InChIKey is XETFFVQWHRQEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c9-8(10,11)4-2-6-17(15,16)14-5-1-3-7(12)13/h14H,1-6H2,(H3,12,13).
What are the key properties of 4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide has a molecular weight of 275.30 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutylsulfonylamino)butanimidamide is sourced from PubChem (CID 83058260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).