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

C8H17N3O3S — CID 104978043

IUPACN-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C8H17N3O3S/c1-3-9-15(13,14)11-5-4-8(10-12)7(2)6-11/h7,9,12H,3-6H2,1-2H3
InChIKeyNUTVIEVXLIDKBU-UHFFFAOYSA-N
MW235.31 g/mol
LogP0.01
Rot. Bonds3

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

N-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide (PubChem CID 104978043) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide
PubChem CID104978043
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC NameN-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C8H17N3O3S/c1-3-9-15(13,14)11-5-4-8(10-12)7(2)6-11/h7,9,12H,3-6H2,1-2H3
InChIKeyNUTVIEVXLIDKBU-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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide (CID 104978043) is N-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(=NO)C(C)C1.
What is the InChIKey of N-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide?
The InChIKey is NUTVIEVXLIDKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-3-9-15(13,14)11-5-4-8(10-12)7(2)6-11/h7,9,12H,3-6H2,1-2H3.
What are the key properties of N-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide?
N-ethyl-4-hydroxyimino-3-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 N-ethyl-4-hydroxyimino-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 104978043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).