2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride

C8H16FNO3S — CID 115035012

IUPAC2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride
SMILESCN1CCCC(C(O)CS(=O)(=O)F)C1
InChIInChI=1S/C8H16FNO3S/c1-10-4-2-3-7(5-10)8(11)6-14(9,12)13/h7-8,11H,2-6H2,1H3
InChIKeyGXJWPRHPFSYNPX-UHFFFAOYSA-N
MW225.28 g/mol
LogP-0.01
Rot. Bonds3

About 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride

2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride (PubChem CID 115035012) has the molecular formula C8H16FNO3S and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride
PubChem CID115035012
Molecular FormulaC8H16FNO3S
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC Name2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride
SMILESCN1CCCC(C(O)CS(=O)(=O)F)C1
InChIInChI=1S/C8H16FNO3S/c1-10-4-2-3-7(5-10)8(11)6-14(9,12)13/h7-8,11H,2-6H2,1H3
InChIKeyGXJWPRHPFSYNPX-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

3-[3-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 72004914
[1-(Cyclopentylmethylsulfonyl)piperidin-3-yl]methanol
CID 127639081
(1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol
CID 164638196
[1-(3-Fluoropropylsulfonyl)piperidin-3-yl]methanol
CID 112404739
1-[1-(3-Fluoropropylsulfonyl)piperidin-3-yl]ethanol
CID 112410413
3-Ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
CID 114510130
2-Hydroxy-2-piperidin-3-ylethanesulfonyl fluoride
CID 115027352
2-Hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride
CID 115035013
[1-Ethylsulfonyl-4-(trifluoromethyl)piperidin-3-yl]methanol
CID 128363063
3-(Hydroxymethyl)-1-piperidinepropanesulfonic acid
CID 11976702
3-[1-(2-Methylsulfonylethyl)piperidin-3-yl]propan-1-ol
CID 54527033
[1-(2-Methylsulfonylethyl)piperidin-3-yl]methanol
CID 57007591

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride (CID 115035012) is 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride is CN1CCCC(C(O)CS(=O)(=O)F)C1.
What is the InChIKey of 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride?
The InChIKey is GXJWPRHPFSYNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO3S/c1-10-4-2-3-7(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-3-yl)ethanesulfonyl fluoride?
2-hydroxy-2-(1-methylpiperidin-3-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-3-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 115035012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).