3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

C9H16F3N3O3S — CID 104978049

IUPAC3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)NCC(F)(F)F)CCC1=NO
InChIInChI=1S/C9H16F3N3O3S/c1-2-7-5-15(4-3-8(7)14-16)19(17,18)13-6-9(10,11)12/h7,13,16H,2-6H2,1H3
InChIKeyDMWBPJRNVKAUJJ-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.95
Rot. Bonds4

About 3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 104978049) has the molecular formula C9H16F3N3O3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID104978049
Molecular FormulaC9H16F3N3O3S
Molecular Weight303.31 g/mol
Exact Mass303.09
IUPAC Name3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)NCC(F)(F)F)CCC1=NO
InChIInChI=1S/C9H16F3N3O3S/c1-2-7-5-15(4-3-8(7)14-16)19(17,18)13-6-9(10,11)12/h7,13,16H,2-6H2,1H3
InChIKeyDMWBPJRNVKAUJJ-UHFFFAOYSA-N
XLogP0.95
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 104978049) is 3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is CCC1CN(S(=O)(=O)NCC(F)(F)F)CCC1=NO.
What is the InChIKey of 3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is DMWBPJRNVKAUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3S/c1-2-7-5-15(4-3-8(7)14-16)19(17,18)13-6-9(10,11)12/h7,13,16H,2-6H2,1H3.
What are the key properties of 3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 303.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 104978049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).