1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide

C11H23N3O2S — CID 65092868

IUPAC1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CCCS(=O)(=O)CC)CC1
InChIInChI=1S/C11H23N3O2S/c1-2-17(15,16)9-3-6-14-7-4-10(5-8-14)11(12)13/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyQYIFYFOUZZWMIC-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.46
Rot. Bonds6

About 1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide

1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide (PubChem CID 65092868) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide
PubChem CID65092868
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CCCS(=O)(=O)CC)CC1
InChIInChI=1S/C11H23N3O2S/c1-2-17(15,16)9-3-6-14-7-4-10(5-8-14)11(12)13/h10H,2-9H2,1H3,(H3,12,13)
InChIKeyQYIFYFOUZZWMIC-UHFFFAOYSA-N
XLogP0.46
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)piperidine-4-carboximidamide
CID 144816606
1-(2,2-dimethylpropyl)piperidine-4-carboximidamide
CID 163564400
1-(2-ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 43808024
2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine
CID 114802608
1-octadecylpiperidine-4-carboxamide
CID 4134920
N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide
CID 106725369
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
CID 79171844
butyl 4-carbamimidoylpiperidine-1-carboxylate
CID 57232274
1-(3-ethylsulfonylpropyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161897
1-(3-ethylsulfonylpropyl)piperidine-2-carbothioamide
CID 65093551
2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide
CID 65258334
1-[3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]propyl]piperidine-4-carboxamide
CID 69358248

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide?
The IUPAC name of 1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide (CID 65092868) is 1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(CCCS(=O)(=O)CC)CC1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide?
The InChIKey is QYIFYFOUZZWMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-2-17(15,16)9-3-6-14-7-4-10(5-8-14)11(12)13/h10H,2-9H2,1H3,(H3,12,13).
What are the key properties of 1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide?
1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide has a molecular weight of 261.39 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)piperidine-4-carboximidamide is sourced from PubChem (CID 65092868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).