1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine

C11H19N3O2S — CID 71864697

IUPAC1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine
SMILESCS(=O)(=O)c1nccn1CCN1CCCCC1
InChIInChI=1S/C11H19N3O2S/c1-17(15,16)11-12-5-8-14(11)10-9-13-6-3-2-4-7-13/h5,8H,2-4,6-7,9-10H2,1H3
InChIKeyZVCPOBVFXCXOTQ-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.77
Rot. Bonds4

About 1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine

1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine (PubChem CID 71864697) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine
PubChem CID71864697
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine
SMILESCS(=O)(=O)c1nccn1CCN1CCCCC1
InChIInChI=1S/C11H19N3O2S/c1-17(15,16)11-12-5-8-14(11)10-9-13-6-3-2-4-7-13/h5,8H,2-4,6-7,9-10H2,1H3
InChIKeyZVCPOBVFXCXOTQ-UHFFFAOYSA-N
XLogP0.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Hexyl-3-methylimidazolium Trifluoromethanesulfonate
CID 2734247
1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
1-Methyl-2-methylsulfinyl-imidazole
CID 3009058
4-methyl-1'-((1-methyl-1H-imidazol-2-yl)sulfonyl)-1,4'-bipiperidine
CID 118308403
1-Methyl-2-methylsulfonylimidazole
CID 333160
6-Imidazol-1-ylhexane-1-sulfonic acid
CID 12870535
1-Decyl-3-methylimidazol-3-ium;methanesulfonate
CID 76336662
1-propyl-1H-imidazole-2-sulfonyl fluoride
CID 155820087
Bis(trifluoromethylsulfonyl)azanide;1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]piperidine
CID 139246163
4-((1-Methyl-1H-imidazol-2-yl)sulfonyl)piperidine
CID 71777950
4-((1H-imidazol-1-yl)methyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 71781100
2-Isopropyl-1-[(1-mesyl-4-piperidyl)methyl]imidazole
CID 71781118

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine (CID 71864697) is 1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine is CS(=O)(=O)c1nccn1CCN1CCCCC1.
What is the InChIKey of 1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine?
The InChIKey is ZVCPOBVFXCXOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-17(15,16)11-12-5-8-14(11)10-9-13-6-3-2-4-7-13/h5,8H,2-4,6-7,9-10H2,1H3.
What are the key properties of 1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine?
1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine has a molecular weight of 257.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylsulfonylimidazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 71864697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).