2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid

C9H15F3N2O4S — CID 114806634

IUPAC2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O4S/c10-9(11,12)6-13-19(17,18)14-3-1-7(2-4-14)5-8(15)16/h7,13H,1-6H2,(H,15,16)
InChIKeyOEEDJSCJCMIACL-UHFFFAOYSA-N
MW304.29 g/mol
LogP0.57
Rot. Bonds5

About 2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid

2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid (PubChem CID 114806634) has the molecular formula C9H15F3N2O4S and a molecular weight of 304.29 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid
PubChem CID114806634
Molecular FormulaC9H15F3N2O4S
Molecular Weight304.29 g/mol
Exact Mass304.07
IUPAC Name2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O4S/c10-9(11,12)6-13-19(17,18)14-3-1-7(2-4-14)5-8(15)16/h7,13H,1-6H2,(H,15,16)
InChIKeyOEEDJSCJCMIACL-UHFFFAOYSA-N
XLogP0.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-3-carboxylic acid
CID 60859395
2-[1-(Fluorosulfonyl)piperidin-4-yl]acetic acid
CID 139026729
1-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-4-carboxylic acid
CID 60859394
2-(3,3-Difluoropiperidin-4-yl)acetic acid
CID 84767753
1-(3,3,3-Trifluoropropylsulfamoyl)piperidine-4-carboxylic acid
CID 55220548
1-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60891373
1-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60950210
1-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 61605875
1-(3,3,3-Trifluoropropylsulfamoyl)piperidine-3-carboxylic acid
CID 63226081
1-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]piperidine-3-carboxylic acid
CID 65533260
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]acetic acid
CID 79608369
2-[1-(Difluoromethylsulfonyl)piperidin-4-yl]acetic acid
CID 79608661

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid (CID 114806634) is 2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid?
The InChIKey is OEEDJSCJCMIACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O4S/c10-9(11,12)6-13-19(17,18)14-3-1-7(2-4-14)5-8(15)16/h7,13H,1-6H2,(H,15,16).
What are the key properties of 2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid?
2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid has a molecular weight of 304.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 114806634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).