N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H23F3N2O2S — CID 106732675

IUPACN-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)S(=O)(=O)CCN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H23F3N2O2S/c1-10(2)20(18,19)8-7-17(9-12(13,14)15)11-3-5-16-6-4-11/h10-11,16H,3-9H2,1-2H3
InChIKeyKVLUXLJYQMUJPT-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.43
Rot. Bonds6

About N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 106732675) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID106732675
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)S(=O)(=O)CCN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H23F3N2O2S/c1-10(2)20(18,19)8-7-17(9-12(13,14)15)11-3-5-16-6-4-11/h10-11,16H,3-9H2,1-2H3
InChIKeyKVLUXLJYQMUJPT-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
N,N-diethyl-N'-piperidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 64852960
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 65178290
N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64851600
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 119934792
N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43602828
N-methyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64851792
N-pentan-2-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850232
N-(cyclopentylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64850426
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine
CID 84686176

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 106732675) is N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(C)S(=O)(=O)CCN(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is KVLUXLJYQMUJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-10(2)20(18,19)8-7-17(9-12(13,14)15)11-3-5-16-6-4-11/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 316.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 106732675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).