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

C10H20F3N3O2S — CID 83058259

IUPAC2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c1-3-9(4-2,8(14)15)16-19(17,18)7-5-6-10(11,12)13/h16H,3-7H2,1-2H3,(H3,14,15)
InChIKeyMECSAZWHPOXSIT-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.74
Rot. Bonds8

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

2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide (PubChem CID 83058259) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide.

Molecular Properties

Compound Name2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
PubChem CID83058259
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c1-3-9(4-2,8(14)15)16-19(17,18)7-5-6-10(11,12)13/h16H,3-7H2,1-2H3,(H3,14,15)
InChIKeyMECSAZWHPOXSIT-UHFFFAOYSA-N
XLogP1.74
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.74
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)-2-ethylbutanimidamide
CID 64407370
2-(Difluoromethylsulfonylamino)-2-methylbutanimidamide
CID 64407634
2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83057939
N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83058393
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83058821
1-(4,4,4-Trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
CID 83059128
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
CID 83059438
1-(4,4,4-Trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
CID 83059743
2-(Tert-butylsulfonylamino)-2-ethylbutanimidamide
CID 64406322
2-Ethyl-2-(propylsulfonylamino)butanimidamide
CID 64406324
2-(Butylsulfonylamino)-2-ethylbutanimidamide
CID 64406531
2-Ethyl-2-(3-methylbutylsulfonylamino)butanimidamide
CID 64406744

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The IUPAC name of 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide (CID 83058259) is 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide.
What is the SMILES notation for 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The canonical SMILES for 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide is [H]/N=C(\N)C(CC)(CC)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The InChIKey is MECSAZWHPOXSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c1-3-9(4-2,8(14)15)16-19(17,18)7-5-6-10(11,12)13/h16H,3-7H2,1-2H3,(H3,14,15).
What are the key properties of 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide has a molecular weight of 303.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide is sourced from PubChem (CID 83058259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).