N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide

C10H19N3O3S — CID 104978050

IUPACN-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)NC2CC2)CCC1=NO
InChIInChI=1S/C10H19N3O3S/c1-2-8-7-13(6-5-10(8)11-14)17(15,16)12-9-3-4-9/h8-9,12,14H,2-7H2,1H3
InChIKeyYEHFMBKOZHJNEU-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.55
Rot. Bonds4

About N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide

N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide (PubChem CID 104978050) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide
PubChem CID104978050
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)NC2CC2)CCC1=NO
InChIInChI=1S/C10H19N3O3S/c1-2-8-7-13(6-5-10(8)11-14)17(15,16)12-9-3-4-9/h8-9,12,14H,2-7H2,1H3
InChIKeyYEHFMBKOZHJNEU-UHFFFAOYSA-N
XLogP0.55
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.55
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'}

Analyze N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide (CID 104978050) is N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide is CCC1CN(S(=O)(=O)NC2CC2)CCC1=NO.
What is the InChIKey of N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide?
The InChIKey is YEHFMBKOZHJNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-2-8-7-13(6-5-10(8)11-14)17(15,16)12-9-3-4-9/h8-9,12,14H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide?
N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide is sourced from PubChem (CID 104978050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).