N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine

C8H16F2N2O2S — CID 60921764

IUPACN-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC(F)F)CC1
InChIInChI=1S/C8H16F2N2O2S/c1-15(13,14)12-4-2-7(3-5-12)11-6-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyQUYPWYFIKAFNLR-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.27
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine

N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 60921764) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID60921764
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC NameN-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC(F)F)CC1
InChIInChI=1S/C8H16F2N2O2S/c1-15(13,14)12-4-2-7(3-5-12)11-6-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyQUYPWYFIKAFNLR-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine (CID 60921764) is N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NCC(F)F)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is QUYPWYFIKAFNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-15(13,14)12-4-2-7(3-5-12)11-6-8(9)10/h7-8,11H,2-6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine?
N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 242.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 60921764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).