N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide

C11H23N3O3S — CID 106725369

IUPACN'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide
SMILESCCCS(=O)(=O)CCN1CCC(C(N)=NO)CC1
InChIInChI=1S/C11H23N3O3S/c1-2-8-18(16,17)9-7-14-5-3-10(4-6-14)11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyLUMXGROIDFGFKA-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.27
Rot. Bonds6

About N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide

N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide (PubChem CID 106725369) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide
PubChem CID106725369
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide
SMILESCCCS(=O)(=O)CCN1CCC(C(N)=NO)CC1
InChIInChI=1S/C11H23N3O3S/c1-2-8-18(16,17)9-7-14-5-3-10(4-6-14)11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyLUMXGROIDFGFKA-UHFFFAOYSA-N
XLogP0.27
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1-(2-propylsulfonylethyl)piperidine-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

Related Compounds

N'-hydroxy-1-pentylpiperidine-4-carboximidamide
CID 77038507
1-(2-ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 43808024
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
CID 106838183
N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 77038741
3-bromo-1-(2-propylsulfonylethyl)pyrrolidine
CID 106731132
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 43441535
3-bromo-4-methyl-1-(2-propylsulfonylethyl)piperidine
CID 106731474
4-chloro-3-methyl-1-(2-propylsulfonylethyl)piperidine
CID 106731403
1-(2-bromoethyl)-4-(2-propylsulfonylethyl)piperazine
CID 106731159
4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine
CID 106728081
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
CID 63596397
1-propylpiperidine-4-carboxamide
CID 18678413

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide (CID 106725369) is N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide is CCCS(=O)(=O)CCN1CCC(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide?
The InChIKey is LUMXGROIDFGFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-2-8-18(16,17)9-7-14-5-3-10(4-6-14)11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide?
N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide has a molecular weight of 277.39 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide is sourced from PubChem (CID 106725369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).