1-(2-sulfonylethyl)piperidine

C7H13NO2S — CID 151556263

IUPAC1-(2-sulfonylethyl)piperidine
SMILESO=S(=O)=CCN1CCCCC1
InChIInChI=1S/C7H13NO2S/c9-11(10)7-6-8-4-2-1-3-5-8/h7H,1-6H2
InChIKeyQBNREPMXDFOQPT-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.15
Rot. Bonds2

About 1-(2-sulfonylethyl)piperidine

1-(2-sulfonylethyl)piperidine (PubChem CID 151556263) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(2-sulfonylethyl)piperidine.

Molecular Properties

Compound Name1-(2-sulfonylethyl)piperidine
PubChem CID151556263
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1-(2-sulfonylethyl)piperidine
SMILESO=S(=O)=CCN1CCCCC1
InChIInChI=1S/C7H13NO2S/c9-11(10)7-6-8-4-2-1-3-5-8/h7H,1-6H2
InChIKeyQBNREPMXDFOQPT-UHFFFAOYSA-N
XLogP0.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl(213C)azinane
CID 173137320
3-pyrrolidin-1-ylprop-1-en-1-one
CID 57238888
1-(2-sulfinylethyl)pyrrolidine
CID 87082225
1-prop-2-enylpiperidine;urea
CID 66978518
1-(2-methylsulfinylethyl)piperidine
CID 66695248
1-(3-chlorophenyl)-5-methyl-1,2,4-triazole;1-(2-sulfonylethyl)pyrrolidine
CID 87082767
2-piperidin-1-ylethanesulfinic acid
CID 59286125
1-(sulfonylmethyl)pyrrolidine
CID 158165133
(E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol
CID 14658329
1-[(E)-5-methylhex-2-enyl]piperidine
CID 59434725
1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine
CID 123989889
(Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid
CID 168863072

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfonylethyl)piperidine?
The IUPAC name of 1-(2-sulfonylethyl)piperidine (CID 151556263) is 1-(2-sulfonylethyl)piperidine.
What is the SMILES notation for 1-(2-sulfonylethyl)piperidine?
The canonical SMILES for 1-(2-sulfonylethyl)piperidine is O=S(=O)=CCN1CCCCC1.
What is the InChIKey of 1-(2-sulfonylethyl)piperidine?
The InChIKey is QBNREPMXDFOQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-11(10)7-6-8-4-2-1-3-5-8/h7H,1-6H2.
What are the key properties of 1-(2-sulfonylethyl)piperidine?
1-(2-sulfonylethyl)piperidine has a molecular weight of 175.25 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfonylethyl)piperidine is sourced from PubChem (CID 151556263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).