2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide

C8H16F3N3O2S — CID 83058407

IUPAC2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)C(CC)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c1-2-6(7(12)13)14-17(15,16)5-3-4-8(9,10)11/h6,14H,2-5H2,1H3,(H3,12,13)
InChIKeyVNHUDYLWKFVPGB-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.96
Rot. Bonds7

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

2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide (PubChem CID 83058407) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
PubChem CID83058407
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Name2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)C(CC)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c1-2-6(7(12)13)14-17(15,16)5-3-4-8(9,10)11/h6,14H,2-5H2,1H3,(H3,12,13)
InChIKeyVNHUDYLWKFVPGB-UHFFFAOYSA-N
XLogP0.96
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(Difluoromethylsulfonylamino)butanimidamide
CID 64406344
2-(Difluoromethylsulfonylamino)pentanimidamide
CID 64406558
3-(Difluoromethylsulfonylamino)butanimidamide
CID 64408323
2-(Difluoromethylsulfonylamino)propanimidamide
CID 64413304
3-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83058121
2-Cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
CID 83058122
4-(4,4,4-Trifluorobutylsulfonylamino)butanimidamide
CID 83058260
5-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058261
2-Methyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
CID 83058406
2-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058547
2-[Propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
CID 83058548
N'-hydroxy-3-methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83058663

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide (CID 83058407) is 2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide.
What is the SMILES notation for 2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The canonical SMILES for 2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide is [H]/N=C(\N)C(CC)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The InChIKey is VNHUDYLWKFVPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c1-2-6(7(12)13)14-17(15,16)5-3-4-8(9,10)11/h6,14H,2-5H2,1H3,(H3,12,13).
What are the key properties of 2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide has a molecular weight of 275.30 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide is sourced from PubChem (CID 83058407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).