N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H21F3N2O2S — CID 64629989

IUPACN-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(CS(C)(=O)=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2S/c1-9(7-19(2,17)18)15-10-3-5-16(6-4-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeySQDQDQNXBOKPHZ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.04
Rot. Bonds5

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

N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 64629989) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID64629989
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(CS(C)(=O)=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2S/c1-9(7-19(2,17)18)15-10-3-5-16(6-4-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeySQDQDQNXBOKPHZ-UHFFFAOYSA-N
XLogP1.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 64629989) is N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(CS(C)(=O)=O)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is SQDQDQNXBOKPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-9(7-19(2,17)18)15-10-3-5-16(6-4-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 302.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 64629989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).