2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide

C9H18F3N3O2S — CID 83058547

IUPAC2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
SMILES[H]/N=C(\N)C(CCC)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3N3O2S/c1-2-4-7(8(13)14)15-18(16,17)6-3-5-9(10,11)12/h7,15H,2-6H2,1H3,(H3,13,14)
InChIKeyFBMNNKRIRJZFSI-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.35
Rot. Bonds8

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

2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide (PubChem CID 83058547) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
PubChem CID83058547
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
SMILES[H]/N=C(\N)C(CCC)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3N3O2S/c1-2-4-7(8(13)14)15-18(16,17)6-3-5-9(10,11)12/h7,15H,2-6H2,1H3,(H3,13,14)
InChIKeyFBMNNKRIRJZFSI-UHFFFAOYSA-N
XLogP1.35
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.35
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)pentanimidamide
CID 64408457
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-(4,4,4-Trifluorobutylsulfonylamino)butanimidamide
CID 83058407
3-[Methyl(4,4,4-trifluorobutylsulfonyl)amino]butanimidamide
CID 83058819
3-(4,4,4-Trifluorobutylsulfonylamino)butanimidamide
CID 83058820
2-[Methyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
CID 83058822
N'-hydroxy-5-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide
CID 83058937

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
The IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide (CID 83058547) is 2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide.
What is the SMILES notation for 2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
The canonical SMILES for 2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide is [H]/N=C(\N)C(CCC)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
The InChIKey is FBMNNKRIRJZFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-2-4-7(8(13)14)15-18(16,17)6-3-5-9(10,11)12/h7,15H,2-6H2,1H3,(H3,13,14).
What are the key properties of 2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide?
2-(4,4,4-trifluorobutylsulfonylamino)pentanimidamide has a molecular weight of 289.32 g/mol, XLogP of 1.35, 8 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)pentanimidamide is sourced from PubChem (CID 83058547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).