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'}

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Related Compounds

CID 104931359
CID 104931359
CID 113637177
CID 113637177
CID 104931368
CID 104931368
CID 104978043
CID 104978043
CID 104978044
CID 104978044
CID 104978046
CID 104978046
CID 104978047
CID 104978047
CID 104978048
CID 104978048
CID 104978050
CID 104978050
CID 104978051
CID 104978051
CID 104978052
CID 104978052
CID 104978053
CID 104978053

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).