1-(2-ethylsulfonylethyl)piperidin-1-ium

C9H20NO2S+ — CID 7200796

IUPAC1-(2-ethylsulfonylethyl)piperidin-1-ium
SMILESCCS(=O)(=O)CC[NH+]1CCCCC1
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)9-8-10-6-4-3-5-7-10/h2-9H2,1H3/p+1
InChIKeyXXWMLROCVKLNOU-UHFFFAOYSA-O
MW206.33 g/mol
LogP-0.51
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)piperidin-1-ium

1-(2-ethylsulfonylethyl)piperidin-1-ium (PubChem CID 7200796) has the molecular formula C9H20NO2S+ and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)piperidin-1-ium.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)piperidin-1-ium
PubChem CID7200796
Molecular FormulaC9H20NO2S+
Molecular Weight206.33 g/mol
Exact Mass206.12
IUPAC Name1-(2-ethylsulfonylethyl)piperidin-1-ium
SMILESCCS(=O)(=O)CC[NH+]1CCCCC1
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)9-8-10-6-4-3-5-7-10/h2-9H2,1H3/p+1
InChIKeyXXWMLROCVKLNOU-UHFFFAOYSA-O
XLogP-0.51
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propylpiperidin-1-ium
CID 36689403
1-ethylpiperidin-1-ium;hydrogen sulfate
CID 139910002
1-octylpiperidin-1-ium;trifluoromethanesulfonate
CID 171615609
phenyl 2-piperidin-1-ium-1-ylethanesulfonate
CID 2252463
2-pyrrolidin-1-ium-1-ylethyl sulfate
CID 169323893
1-butylpyrrolidin-1-ium acetate
CID 118062280
[(2R)-4-(azepan-1-ium-1-yl)butan-2-yl]azanium
CID 7219851
1-(2-ethylsulfonylethyl)azocane
CID 167779827
1-butylpyrrolidin-1-ium;dihydrogen phosphate
CID 163359822
2,2,2-trifluoroethyl 2-(4-ethylpiperazine-1,4-diium-1-yl)ethanesulfonate
CID 2335462
3-piperidin-1-ium-1-ylpropyl acetate
CID 2272958
4-methyl-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide
CID 8823973

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)piperidin-1-ium?
The IUPAC name of 1-(2-ethylsulfonylethyl)piperidin-1-ium (CID 7200796) is 1-(2-ethylsulfonylethyl)piperidin-1-ium.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)piperidin-1-ium?
The canonical SMILES for 1-(2-ethylsulfonylethyl)piperidin-1-ium is CCS(=O)(=O)CC[NH+]1CCCCC1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)piperidin-1-ium?
The InChIKey is XXWMLROCVKLNOU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO2S/c1-2-13(11,12)9-8-10-6-4-3-5-7-10/h2-9H2,1H3/p+1.
What are the key properties of 1-(2-ethylsulfonylethyl)piperidin-1-ium?
1-(2-ethylsulfonylethyl)piperidin-1-ium has a molecular weight of 206.33 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)piperidin-1-ium is sourced from PubChem (CID 7200796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).