3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide

C8H17N3O3S — CID 104978052

IUPAC3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)NC)CCC1=NO
InChIInChI=1S/C8H17N3O3S/c1-3-7-6-11(15(13,14)9-2)5-4-8(7)10-12/h7,9,12H,3-6H2,1-2H3
InChIKeyIBMVLIJHENKAPB-UHFFFAOYSA-N
MW235.31 g/mol
LogP0.01
Rot. Bonds3

About 3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide

3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide (PubChem CID 104978052) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide
PubChem CID104978052
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)NC)CCC1=NO
InChIInChI=1S/C8H17N3O3S/c1-3-7-6-11(15(13,14)9-2)5-4-8(7)10-12/h7,9,12H,3-6H2,1-2H3
InChIKeyIBMVLIJHENKAPB-UHFFFAOYSA-N
XLogP0.01
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 50.01
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-methylpiperidine-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-methylpiperidine-1-sulfonamide?
The IUPAC name of 3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide (CID 104978052) is 3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide is CCC1CN(S(=O)(=O)NC)CCC1=NO.
What is the InChIKey of 3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide?
The InChIKey is IBMVLIJHENKAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-3-7-6-11(15(13,14)9-2)5-4-8(7)10-12/h7,9,12H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide?
3-ethyl-4-hydroxyimino-N-methylpiperidine-1-sulfonamide has a molecular weight of 235.31 g/mol, XLogP of 0.01, 3 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-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 104978052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).