4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine

C11H22F3N3O2S — CID 114805025

IUPAC4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine
SMILESCC(C)(C)NS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H22F3N3O2S/c1-10(2,3)16-20(18,19)17(8-11(12,13)14)9-4-6-15-7-5-9/h9,15-16H,4-8H2,1-3H3
InChIKeyZSTJCCMAZSPQAU-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.24
Rot. Bonds4

About 4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine

4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine (PubChem CID 114805025) has the molecular formula C11H22F3N3O2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine.

Molecular Properties

Compound Name4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine
PubChem CID114805025
Molecular FormulaC11H22F3N3O2S
Molecular Weight317.38 g/mol
Exact Mass317.14
IUPAC Name4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine
SMILESCC(C)(C)NS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H22F3N3O2S/c1-10(2,3)16-20(18,19)17(8-11(12,13)14)9-4-6-15-7-5-9/h9,15-16H,4-8H2,1-3H3
InChIKeyZSTJCCMAZSPQAU-UHFFFAOYSA-N
XLogP1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine?
The IUPAC name of 4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine (CID 114805025) is 4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine.
What is the SMILES notation for 4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine?
The canonical SMILES for 4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine is CC(C)(C)NS(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine?
The InChIKey is ZSTJCCMAZSPQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2S/c1-10(2,3)16-20(18,19)17(8-11(12,13)14)9-4-6-15-7-5-9/h9,15-16H,4-8H2,1-3H3.
What are the key properties of 4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine?
4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine has a molecular weight of 317.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine is sourced from PubChem (CID 114805025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).