N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H23F3N2S — CID 80722722

IUPACN-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1(CNC2CCN(CC(F)(F)F)CC2)CCCS1
InChIInChI=1S/C13H23F3N2S/c1-12(5-2-8-19-12)9-17-11-3-6-18(7-4-11)10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyNKPNHIZRYFHHGJ-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.89
Rot. Bonds4

About N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 80722722) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID80722722
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1(CNC2CCN(CC(F)(F)F)CC2)CCCS1
InChIInChI=1S/C13H23F3N2S/c1-12(5-2-8-19-12)9-17-11-3-6-18(7-4-11)10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyNKPNHIZRYFHHGJ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methylthiolan-2-yl)methyl]-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-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 80722722) is N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC1(CNC2CCN(CC(F)(F)F)CC2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is NKPNHIZRYFHHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c1-12(5-2-8-19-12)9-17-11-3-6-18(7-4-11)10-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 296.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 80722722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).