N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine

C11H21F3N2O2S — CID 114498826

IUPACN,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1C
InChIInChI=1S/C11H21F3N2O2S/c1-9-8-16(6-4-10(9)15-2)19(17,18)7-3-5-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyFDIBMALLAZNHFK-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.59
Rot. Bonds5

About N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine

N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine (PubChem CID 114498826) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
PubChem CID114498826
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1C
InChIInChI=1S/C11H21F3N2O2S/c1-9-8-16(6-4-10(9)15-2)19(17,18)7-3-5-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyFDIBMALLAZNHFK-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
CID 114507218
N,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 114449186
methyl 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine-3-carboxylate
CID 83058106
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
CID 107225039
1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde
CID 83058258
1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498856
1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanone
CID 83057913
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
methyl 4-(4,4,4-trifluorobutylsulfonyl)morpholine-2-carboxylate
CID 83058661
4-(4,4,4-trifluorobutylsulfonyl)morpholine-2-carboxylic acid
CID 83067729
(3aS,6aS)-5-(4,4,4-trifluorobutylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 83068246
1-(2,2-dimethylpropylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498948

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The IUPAC name of N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine (CID 114498826) is N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The canonical SMILES for N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine is CNC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1C.
What is the InChIKey of N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The InChIKey is FDIBMALLAZNHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-9-8-16(6-4-10(9)15-2)19(17,18)7-3-5-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine has a molecular weight of 302.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 114498826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).