1-ethylsulfonylpiperidine

C7H15NO2S — CID 3418537

IUPAC1-ethylsulfonylpiperidine
SMILESCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H15NO2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyGZJHPGLSIOWQJE-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.82
Rot. Bonds2

About 1-ethylsulfonylpiperidine

1-ethylsulfonylpiperidine (PubChem CID 3418537) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-ethylsulfonylpiperidine.

Molecular Properties

Compound Name1-ethylsulfonylpiperidine
PubChem CID3418537
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1-ethylsulfonylpiperidine
SMILESCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H15NO2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyGZJHPGLSIOWQJE-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

piperidinium, 1-methyl-1-(3-sulfopropyl)-, inner salt
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Butyl piperidino sulfone
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N-Methyl-4-piperidinesulfonamide
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1-Propylsulfonylpiperidine
CID 303126
2-(Piperidine-1-sulfonyl)acetonitrile
CID 39733771
N-methylpiperidine-3-sulfonamide
CID 24711203
N-methyltetrahydro-1,2-thiazine S,S-dioxide
CID 12211945
3-(1-Methylpiperidin-1-ium-1-yl)propane-1-sulfonic acid
CID 10130698
1-Methanesulfonylpiperidine
CID 273952
1-Pentylsulfonylpiperidine
CID 303124
1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
2-(Piperidin-1-yl)ethane-1-sulfonyl chloride hydrochloride
CID 165947110

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylpiperidine?
The IUPAC name of 1-ethylsulfonylpiperidine (CID 3418537) is 1-ethylsulfonylpiperidine.
What is the SMILES notation for 1-ethylsulfonylpiperidine?
The canonical SMILES for 1-ethylsulfonylpiperidine is CCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-ethylsulfonylpiperidine?
The InChIKey is GZJHPGLSIOWQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H2,1H3.
What are the key properties of 1-ethylsulfonylpiperidine?
1-ethylsulfonylpiperidine has a molecular weight of 177.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpiperidine is sourced from PubChem (CID 3418537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).