N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide

C11H19N5O3S — CID 107162716

IUPACN'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide
SMILESCn1nccc1S(=O)(=O)N1CCC(C)(/C(N)=N/O)CC1
InChIInChI=1S/C11H19N5O3S/c1-11(10(12)14-17)4-7-16(8-5-11)20(18,19)9-3-6-13-15(9)2/h3,6,17H,4-5,7-8H2,1-2H3,(H2,12,14)
InChIKeyCOGDACDSCMMWCA-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.04
Rot. Bonds3

About N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide

N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide (PubChem CID 107162716) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide
PubChem CID107162716
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC NameN'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide
SMILESCn1nccc1S(=O)(=O)N1CCC(C)(/C(N)=N/O)CC1
InChIInChI=1S/C11H19N5O3S/c1-11(10(12)14-17)4-7-16(8-5-11)20(18,19)9-3-6-13-15(9)2/h3,6,17H,4-5,7-8H2,1-2H3,(H2,12,14)
InChIKeyCOGDACDSCMMWCA-UHFFFAOYSA-N
XLogP-0.04
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide 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'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide (CID 107162716) is N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide is Cn1nccc1S(=O)(=O)N1CCC(C)(/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide?
The InChIKey is COGDACDSCMMWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-11(10(12)14-17)4-7-16(8-5-11)20(18,19)9-3-6-13-15(9)2/h3,6,17H,4-5,7-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide?
N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide has a molecular weight of 301.37 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).