1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine

C14H27F3N2O2S — CID 86782206

IUPAC1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O2S/c1-3-22(20,21)10-12(2)18-7-4-13-5-8-19(9-6-13)11-14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyWDZSAZXEYQQQDD-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.06
Rot. Bonds8

About 1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine

1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine (PubChem CID 86782206) has the molecular formula C14H27F3N2O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
PubChem CID86782206
Molecular FormulaC14H27F3N2O2S
Molecular Weight344.44 g/mol
Exact Mass344.17
IUPAC Name1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O2S/c1-3-22(20,21)10-12(2)18-7-4-13-5-8-19(9-6-13)11-14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyWDZSAZXEYQQQDD-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine (CID 86782206) is 1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine is CCS(=O)(=O)CC(C)NCCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine?
The InChIKey is WDZSAZXEYQQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2S/c1-3-22(20,21)10-12(2)18-7-4-13-5-8-19(9-6-13)11-14(15,16)17/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine?
1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine has a molecular weight of 344.44 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine is sourced from PubChem (CID 86782206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).