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

C11H21F3N2S — CID 113261799

IUPACN-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSCC(C)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-9(7-17-2)15-10-3-5-16(6-4-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyGUZFKGCXUDMTCU-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.35
Rot. Bonds5

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

N-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 113261799) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID113261799
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC NameN-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSCC(C)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-9(7-17-2)15-10-3-5-16(6-4-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyGUZFKGCXUDMTCU-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 113261799) is N-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CSCC(C)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is GUZFKGCXUDMTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-9(7-17-2)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-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 113261799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).