4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide

C9H19N3O3S — CID 104978044

IUPAC4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C9H19N3O3S/c1-7(2)11-16(14,15)12-5-4-9(10-13)8(3)6-12/h7-8,11,13H,4-6H2,1-3H3
InChIKeySOZPWVAFVULRDK-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.40
Rot. Bonds3

About 4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide

4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 104978044) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID104978044
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C9H19N3O3S/c1-7(2)11-16(14,15)12-5-4-9(10-13)8(3)6-12/h7-8,11,13H,4-6H2,1-3H3
InChIKeySOZPWVAFVULRDK-UHFFFAOYSA-N
XLogP0.40
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.40
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 4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide (CID 104978044) is 4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCC(=NO)C(C)C1.
What is the InChIKey of 4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is SOZPWVAFVULRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-7(2)11-16(14,15)12-5-4-9(10-13)8(3)6-12/h7-8,11,13H,4-6H2,1-3H3.
What are the key properties of 4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 249.34 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-3-methyl-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 104978044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).