N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H21F3N2O2S — CID 64852378

IUPACN-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCS(=O)(=O)CCN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H21F3N2O2S/c1-2-19(17,18)8-7-16(9-11(12,13)14)10-3-5-15-6-4-10/h10,15H,2-9H2,1H3
InChIKeyHTVTXYIZWGGGJH-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.04
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 64852378) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID64852378
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCS(=O)(=O)CCN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H21F3N2O2S/c1-2-19(17,18)8-7-16(9-11(12,13)14)10-3-5-15-6-4-10/h10,15H,2-9H2,1H3
InChIKeyHTVTXYIZWGGGJH-UHFFFAOYSA-N
XLogP1.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 64852378) is N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CCS(=O)(=O)CCN(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is HTVTXYIZWGGGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-2-19(17,18)8-7-16(9-11(12,13)14)10-3-5-15-6-4-10/h10,15H,2-9H2,1H3.
What are the key properties of N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 302.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 64852378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).