2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride

C8H16FNO3S — CID 115035013

IUPAC2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride
SMILESCN1CCC(C(O)CS(=O)(=O)F)CC1
InChIInChI=1S/C8H16FNO3S/c1-10-4-2-7(3-5-10)8(11)6-14(9,12)13/h7-8,11H,2-6H2,1H3
InChIKeyQRCFXVKKZASUFQ-UHFFFAOYSA-N
MW225.28 g/mol
LogP-0.01
Rot. Bonds3

About 2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride

2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride (PubChem CID 115035013) has the molecular formula C8H16FNO3S and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride
PubChem CID115035013
Molecular FormulaC8H16FNO3S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride
SMILESCN1CCC(C(O)CS(=O)(=O)F)CC1
InChIInChI=1S/C8H16FNO3S/c1-10-4-2-7(3-5-10)8(11)6-14(9,12)13/h7-8,11H,2-6H2,1H3
InChIKeyQRCFXVKKZASUFQ-UHFFFAOYSA-N
XLogP-0.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol
CID 164638196
(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol
CID 164639391
2,2,2-Trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 71916120
[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-yl]methanol
CID 83057919
(1S)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 97098892
(1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 97098893
1-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-yl]ethanol
CID 103943153
1-(3-Fluoropropylsulfonyl)-4-methylpiperidin-3-ol
CID 109948468
1-(1-Ethylsulfonylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 112316779
1-[1-(3,3-Dimethylbutylsulfonyl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112316780
2,2,2-Trifluoro-1-[1-(2-methylpentylsulfonyl)piperidin-4-yl]ethanol
CID 112316781
1-(1-Butylsulfonylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 112316783

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride (CID 115035013) is 2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride is CN1CCC(C(O)CS(=O)(=O)F)CC1.
What is the InChIKey of 2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride?
The InChIKey is QRCFXVKKZASUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO3S/c1-10-4-2-7(3-5-10)8(11)6-14(9,12)13/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride?
2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride has a molecular weight of 225.28 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 115035013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).