2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide

C12H22F3N3O2S — CID 83048045

IUPAC2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)CCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H22F3N3O2S/c13-12(14,15)7-4-8-21(19,20)18-10(11(16)17)9-5-2-1-3-6-9/h9-10,18H,1-8H2,(H3,16,17)
InChIKeyQDYSZJBJYGWGGY-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.13
Rot. Bonds7

About 2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide

2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide (PubChem CID 83048045) has the molecular formula C12H22F3N3O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
PubChem CID83048045
Molecular FormulaC12H22F3N3O2S
Molecular Weight329.39 g/mol
Exact Mass329.14
IUPAC Name2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)CCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H22F3N3O2S/c13-12(14,15)7-4-8-21(19,20)18-10(11(16)17)9-5-2-1-3-6-9/h9-10,18H,1-8H2,(H3,16,17)
InChIKeyQDYSZJBJYGWGGY-UHFFFAOYSA-N
XLogP2.13
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The IUPAC name of 2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide (CID 83048045) is 2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide.
What is the SMILES notation for 2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The canonical SMILES for 2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide is [H]/N=C(\N)C(NS(=O)(=O)CCCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The InChIKey is QDYSZJBJYGWGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2S/c13-12(14,15)7-4-8-21(19,20)18-10(11(16)17)9-5-2-1-3-6-9/h9-10,18H,1-8H2,(H3,16,17).
What are the key properties of 2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide has a molecular weight of 329.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide is sourced from PubChem (CID 83048045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).