N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C9H18F3N3O2S — CID 43602828

IUPACN-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCN(C)S(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H18F3N3O2S/c1-14(2)18(16,17)15(7-9(10,11)12)8-3-5-13-6-4-8/h8,13H,3-7H2,1-2H3
InChIKeyFYPIYVCFKKDHJF-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.41
Rot. Bonds4

About N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43602828) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43602828
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC NameN-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCN(C)S(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H18F3N3O2S/c1-14(2)18(16,17)15(7-9(10,11)12)8-3-5-13-6-4-8/h8,13H,3-7H2,1-2H3
InChIKeyFYPIYVCFKKDHJF-UHFFFAOYSA-N
XLogP0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43602828) is N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CN(C)S(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is FYPIYVCFKKDHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-14(2)18(16,17)15(7-9(10,11)12)8-3-5-13-6-4-8/h8,13H,3-7H2,1-2H3.
What are the key properties of N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 289.32 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43602828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).