4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide

C9H17F3N2O3S2 — CID 106433638

IUPAC4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCSC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C9H17F3N2O3S2/c10-9(11,12)18-6-3-13-19(16,17)14-4-1-8(7-15)2-5-14/h8,13,15H,1-7H2
InChIKeyDRENYJQLWCVYNH-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.78
Rot. Bonds6

About 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide

4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide (PubChem CID 106433638) has the molecular formula C9H17F3N2O3S2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
PubChem CID106433638
Molecular FormulaC9H17F3N2O3S2
Molecular Weight322.37 g/mol
Exact Mass322.06
IUPAC Name4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCSC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C9H17F3N2O3S2/c10-9(11,12)18-6-3-13-19(16,17)14-4-1-8(7-15)2-5-14/h8,13,15H,1-7H2
InChIKeyDRENYJQLWCVYNH-UHFFFAOYSA-N
XLogP0.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522645
N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide
CID 115408987
2-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
CID 106433776
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
(3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 99773486
[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-4-yl]methanol
CID 54878650
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
[1-(chloromethylsulfonyl)piperidin-4-yl]methanol
CID 63664501
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide (CID 106433638) is 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide is O=S(=O)(NCCSC(F)(F)F)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide?
The InChIKey is DRENYJQLWCVYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S2/c10-9(11,12)18-6-3-13-19(16,17)14-4-1-8(7-15)2-5-14/h8,13,15H,1-7H2.
What are the key properties of 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide?
4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide has a molecular weight of 322.37 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106433638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).