4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine

C12H21N3O2S — CID 114112555

IUPAC4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
SMILESCCS(=O)(=O)CCn1cncc1C1CCNCC1
InChIInChI=1S/C12H21N3O2S/c1-2-18(16,17)8-7-15-10-14-9-12(15)11-3-5-13-6-4-11/h9-11,13H,2-8H2,1H3
InChIKeySYOHQFOVHHBYRV-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.78
Rot. Bonds5

About 4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine

4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine (PubChem CID 114112555) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
PubChem CID114112555
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
SMILESCCS(=O)(=O)CCn1cncc1C1CCNCC1
InChIInChI=1S/C12H21N3O2S/c1-2-18(16,17)8-7-15-10-14-9-12(15)11-3-5-13-6-4-11/h9-11,13H,2-8H2,1H3
InChIKeySYOHQFOVHHBYRV-UHFFFAOYSA-N
XLogP0.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
CID 106106979
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704864
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one
CID 114707224
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
CID 114102709
4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
CID 107490004
4-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942355
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine (CID 114112555) is 4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine is CCS(=O)(=O)CCn1cncc1C1CCNCC1.
What is the InChIKey of 4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine?
The InChIKey is SYOHQFOVHHBYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-18(16,17)8-7-15-10-14-9-12(15)11-3-5-13-6-4-11/h9-11,13H,2-8H2,1H3.
What are the key properties of 4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine?
4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine has a molecular weight of 271.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114112555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).