4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide

C7H15N3O3S — CID 104978047

IUPAC4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C7H15N3O3S/c1-6-5-10(14(12,13)8-2)4-3-7(6)9-11/h6,8,11H,3-5H2,1-2H3
InChIKeySHTJQGVPUGYXIO-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.38
Rot. Bonds2

About 4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide

4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 104978047) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID104978047
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(=NO)C(C)C1
InChIInChI=1S/C7H15N3O3S/c1-6-5-10(14(12,13)8-2)4-3-7(6)9-11/h6,8,11H,3-5H2,1-2H3
InChIKeySHTJQGVPUGYXIO-UHFFFAOYSA-N
XLogP-0.38
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.38
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-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide (CID 104978047) is 4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide is CNS(=O)(=O)N1CCC(=NO)C(C)C1.
What is the InChIKey of 4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is SHTJQGVPUGYXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c1-6-5-10(14(12,13)8-2)4-3-7(6)9-11/h6,8,11H,3-5H2,1-2H3.
What are the key properties of 4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide?
4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 221.28 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 104978047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).