1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine

C8H16F2N2O2S — CID 63855233

IUPAC1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C8H16F2N2O2S/c1-6(11)7-3-2-4-12(5-7)15(13,14)8(9)10/h6-8H,2-5,11H2,1H3
InChIKeyDGAFZAMEYDAOHX-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.60
Rot. Bonds3

About 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine

1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine (PubChem CID 63855233) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine
PubChem CID63855233
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC Name1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C8H16F2N2O2S/c1-6(11)7-3-2-4-12(5-7)15(13,14)8(9)10/h6-8H,2-5,11H2,1H3
InChIKeyDGAFZAMEYDAOHX-UHFFFAOYSA-N
XLogP0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine (CID 63855233) is 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine is CC(N)C1CCCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine?
The InChIKey is DGAFZAMEYDAOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-6(11)7-3-2-4-12(5-7)15(13,14)8(9)10/h6-8H,2-5,11H2,1H3.
What are the key properties of 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine?
1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine has a molecular weight of 242.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63855233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).