3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide

C9H19N3O3S — CID 104931368

IUPAC3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)N(C)C)CCC1=NO
InChIInChI=1S/C9H19N3O3S/c1-4-8-7-12(6-5-9(8)10-13)16(14,15)11(2)3/h8,13H,4-7H2,1-3H3
InChIKeyOCTUZUICOOWQOF-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.35
Rot. Bonds3

About 3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide

3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 104931368) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID104931368
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)N(C)C)CCC1=NO
InChIInChI=1S/C9H19N3O3S/c1-4-8-7-12(6-5-9(8)10-13)16(14,15)11(2)3/h8,13H,4-7H2,1-3H3
InChIKeyOCTUZUICOOWQOF-UHFFFAOYSA-N
XLogP0.35
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
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,N-dimethylpiperidine-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,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide (CID 104931368) is 3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide is CCC1CN(S(=O)(=O)N(C)C)CCC1=NO.
What is the InChIKey of 3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is OCTUZUICOOWQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-4-8-7-12(6-5-9(8)10-13)16(14,15)11(2)3/h8,13H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide?
3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 249.34 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxyimino-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 104931368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).