4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine

C8H16F3N3O2S — CID 91811066

IUPAC4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine
SMILESCN(C1CCNCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c1-14(7-2-4-12-5-3-7)17(15,16)13-6-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyITBKEJFLMSPCKI-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.07
Rot. Bonds4

About 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine

4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine (PubChem CID 91811066) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine
PubChem CID91811066
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Name4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine
SMILESCN(C1CCNCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c1-14(7-2-4-12-5-3-7)17(15,16)13-6-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyITBKEJFLMSPCKI-UHFFFAOYSA-N
XLogP0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine (CID 91811066) is 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine is CN(C1CCNCC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine?
The InChIKey is ITBKEJFLMSPCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c1-14(7-2-4-12-5-3-7)17(15,16)13-6-8(9,10)11/h7,12-13H,2-6H2,1H3.
What are the key properties of 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine?
4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine has a molecular weight of 275.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]piperidine is sourced from PubChem (CID 91811066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).