3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide

C9H19FN2O3S — CID 123399335

IUPAC3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
SMILESCC(F)C1CC(O)CN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C9H19FN2O3S/c1-7(10)8-4-9(13)6-12(5-8)16(14,15)11(2)3/h7-9,13H,4-6H2,1-3H3
InChIKeyYIPCFYXIBHQCRF-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.17
Rot. Bonds3

About 3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide

3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 123399335) has the molecular formula C9H19FN2O3S and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID123399335
Molecular FormulaC9H19FN2O3S
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
SMILESCC(F)C1CC(O)CN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C9H19FN2O3S/c1-7(10)8-4-9(13)6-12(5-8)16(14,15)11(2)3/h7-9,13H,4-6H2,1-3H3
InChIKeyYIPCFYXIBHQCRF-UHFFFAOYSA-N
XLogP-0.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 51357035
3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 75631619
3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 123502959
(3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 126716215
(5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 126716235
(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 134386670
(3R)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 144175368
(3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 153218359
2,2,2-Trifluoro-1-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]ethanol
CID 75387291
(1S)-2,2,2-trifluoro-1-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol
CID 97239662
(1S)-2,2,2-trifluoro-1-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol
CID 97239663
(1R)-2,2,2-trifluoro-1-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]ethanol
CID 100078862

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide (CID 123399335) is 3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide is CC(F)C1CC(O)CN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of 3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is YIPCFYXIBHQCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O3S/c1-7(10)8-4-9(13)6-12(5-8)16(14,15)11(2)3/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide?
3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 254.33 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 123399335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).