2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide

C8H16F3N3O3S — CID 83059288

IUPAC2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-2-14(6-7(12)13-15)18(16,17)5-3-4-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13)
InChIKeyNFLAEADKYRWSFW-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.73
Rot. Bonds7

About 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide

2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide (PubChem CID 83059288) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide
PubChem CID83059288
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC Name2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-2-14(6-7(12)13-15)18(16,17)5-3-4-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13)
InChIKeyNFLAEADKYRWSFW-UHFFFAOYSA-N
XLogP0.73
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide (CID 83059288) is 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is NFLAEADKYRWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c1-2-14(6-7(12)13-15)18(16,17)5-3-4-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13).
What are the key properties of 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 291.30 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 83059288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).