1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid

C10H17F3N2O5S — CID 63828748

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCCOCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O5S/c11-10(12,13)7-20-5-3-14-21(18,19)15-4-1-2-8(6-15)9(16)17/h8,14H,1-7H2,(H,16,17)
InChIKeyLOSLJLXSFUTZPX-UHFFFAOYSA-N
MW334.32 g/mol
LogP0.20
Rot. Bonds7

About 1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid

1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 63828748) has the molecular formula C10H17F3N2O5S and a molecular weight of 334.32 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID63828748
Molecular FormulaC10H17F3N2O5S
Molecular Weight334.32 g/mol
Exact Mass334.08
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCCOCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O5S/c11-10(12,13)7-20-5-3-14-21(18,19)15-4-1-2-8(6-15)9(16)17/h8,14H,1-7H2,(H,16,17)
InChIKeyLOSLJLXSFUTZPX-UHFFFAOYSA-N
XLogP0.20
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 50.20
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid (CID 63828748) is 1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NCCOCC(F)(F)F)C1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is LOSLJLXSFUTZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O5S/c11-10(12,13)7-20-5-3-14-21(18,19)15-4-1-2-8(6-15)9(16)17/h8,14H,1-7H2,(H,16,17).
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid?
1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 334.32 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63828748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).