N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C10H19F3N2O2S — CID 54932638

IUPACN-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCS(=O)(=O)CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)7-4-14-9-2-5-15(6-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyPJOLRVPOOALZBT-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.65
Rot. Bonds5

About N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 54932638) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID54932638
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCS(=O)(=O)CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)7-4-14-9-2-5-15(6-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyPJOLRVPOOALZBT-UHFFFAOYSA-N
XLogP0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 54932638) is N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CS(=O)(=O)CCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is PJOLRVPOOALZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-18(16,17)7-4-14-9-2-5-15(6-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 288.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 54932638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).