2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide

C8H16F3N3O2S — CID 83057954

IUPAC2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CC)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c1-2-14(6-7(12)13)17(15,16)5-3-4-8(9,10)11/h2-6H2,1H3,(H3,12,13)
InChIKeyWCZATOLVMVLBBE-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.92
Rot. Bonds7

About 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide

2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide (PubChem CID 83057954) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
PubChem CID83057954
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Name2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CC)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c1-2-14(6-7(12)13)17(15,16)5-3-4-8(9,10)11/h2-6H2,1H3,(H3,12,13)
InChIKeyWCZATOLVMVLBBE-UHFFFAOYSA-N
XLogP0.92
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
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-[Difluoromethylsulfonyl(methyl)amino]ethanimidamide
CID 64405672
2-[Difluoromethylsulfonyl(ethyl)amino]ethanimidamide
CID 64406938
2-[Difluoromethylsulfonyl(propyl)amino]ethanimidamide
CID 64407568
2-[Difluoromethylsulfonyl(propan-2-yl)amino]ethanimidamide
CID 64474218
2-[4-(4,4,4-Trifluorobutylsulfonyl)piperazin-1-yl]propanimidamide
CID 83047035
3-[Ethyl(4,4,4-trifluorobutylsulfonyl)amino]-2-methylpropanimidamide
CID 83057953
2-[Propyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
CID 83058120
2-[Propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
CID 83058548
2-[4-(4,4,4-Trifluorobutylsulfonyl)piperazin-1-yl]ethanimidamide
CID 83058675
2-[Methyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
CID 83058822
N'-hydroxy-2-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
CID 83059114
N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
CID 83059287

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
The IUPAC name of 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide (CID 83057954) is 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide.
What is the SMILES notation for 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
The canonical SMILES for 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide is [H]/N=C(\N)CN(CC)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
The InChIKey is WCZATOLVMVLBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c1-2-14(6-7(12)13)17(15,16)5-3-4-8(9,10)11/h2-6H2,1H3,(H3,12,13).
What are the key properties of 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide has a molecular weight of 275.30 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide is sourced from PubChem (CID 83057954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).