4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide

C9H19N3O3S — CID 104978046

IUPAC4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C9H19N3O3S/c1-3-5-10-16(14,15)12-6-4-9(11-13)8(2)7-12/h8,10,13H,3-7H2,1-2H3
InChIKeyDSMLXRMMQCWMGL-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.40
Rot. Bonds4

About 4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide

4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide (PubChem CID 104978046) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide
PubChem CID104978046
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C9H19N3O3S/c1-3-5-10-16(14,15)12-6-4-9(11-13)8(2)7-12/h8,10,13H,3-7H2,1-2H3
InChIKeyDSMLXRMMQCWMGL-UHFFFAOYSA-N
XLogP0.40
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-propylpiperidine-1-sulfonamide?
The IUPAC name of 4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide (CID 104978046) is 4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for 4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide is CCCNS(=O)(=O)N1CCC(=NO)C(C)C1.
What is the InChIKey of 4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide?
The InChIKey is DSMLXRMMQCWMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-3-5-10-16(14,15)12-6-4-9(11-13)8(2)7-12/h8,10,13H,3-7H2,1-2H3.
What are the key properties of 4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide?
4-hydroxyimino-3-methyl-N-propylpiperidine-1-sulfonamide has a molecular weight of 249.34 g/mol, XLogP of 0.40, 4 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-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 104978046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).