4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid

C10H16F3NO4S — CID 54936614

IUPAC4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)8-3-1-5-14(7-8)19(17,18)6-2-4-9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyGLAIWSJYBAYRMD-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.46
Rot. Bonds5

About 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid

4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid (PubChem CID 54936614) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid
PubChem CID54936614
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)8-3-1-5-14(7-8)19(17,18)6-2-4-9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyGLAIWSJYBAYRMD-UHFFFAOYSA-N
XLogP1.46
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Propane-1-sulfonyl)piperidine-4-carboxylic acid
CID 4047204
1-(Butane-1-sulfonyl)piperidine-4-carboxylic acid
CID 16228565
Sodium 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527730
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527731
2-(4,4-Difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid
CID 59634308
2,2,3,3,4,4-Hexafluoro-4-piperidin-1-ylsulfonylbutanoic acid
CID 123342681
3-(4-Carboxypiperidin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate
CID 141650531
1-Difluoromethanesulfonylpiperidine-4-carboxylic acid
CID 28606741
4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 54947178
3-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60917680
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylacetic acid
CID 60917775

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid?
The IUPAC name of 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid (CID 54936614) is 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid.
What is the SMILES notation for 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid?
The canonical SMILES for 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid?
The InChIKey is GLAIWSJYBAYRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c11-10(12,13)8-3-1-5-14(7-8)19(17,18)6-2-4-9(15)16/h8H,1-7H2,(H,15,16).
What are the key properties of 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid?
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid has a molecular weight of 303.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid is sourced from PubChem (CID 54936614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).