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

C10H21N3O3S — CID 104978051

IUPAC3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(=NO)C(CC)C1
InChIInChI=1S/C10H21N3O3S/c1-3-6-11-17(15,16)13-7-5-10(12-14)9(4-2)8-13/h9,11,14H,3-8H2,1-2H3
InChIKeyGRWSIGOBMGAZDI-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.79
Rot. Bonds5

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

3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide (PubChem CID 104978051) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide
PubChem CID104978051
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(=NO)C(CC)C1
InChIInChI=1S/C10H21N3O3S/c1-3-6-11-17(15,16)13-7-5-10(12-14)9(4-2)8-13/h9,11,14H,3-8H2,1-2H3
InChIKeyGRWSIGOBMGAZDI-UHFFFAOYSA-N
XLogP0.79
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.79
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 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide?
The IUPAC name of 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide (CID 104978051) is 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide is CCCNS(=O)(=O)N1CCC(=NO)C(CC)C1.
What is the InChIKey of 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide?
The InChIKey is GRWSIGOBMGAZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-3-6-11-17(15,16)13-7-5-10(12-14)9(4-2)8-13/h9,11,14H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide?
3-ethyl-4-hydroxyimino-N-propylpiperidine-1-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of 0.79, 5 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-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 104978051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).