N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine

C11H21F3N2S — CID 134514969

IUPACN-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
SMILESCNC1CC(C(F)(F)F)CN(C(C)CSC)C1
InChIInChI=1S/C11H21F3N2S/c1-8(7-17-3)16-5-9(11(12,13)14)4-10(6-16)15-2/h8-10,15H,4-7H2,1-3H3
InChIKeyAANSBEDVYLZIHK-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 134514969) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
PubChem CID134514969
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC NameN-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
SMILESCNC1CC(C(F)(F)F)CN(C(C)CSC)C1
InChIInChI=1S/C11H21F3N2S/c1-8(7-17-3)16-5-9(11(12,13)14)4-10(6-16)15-2/h8-10,15H,4-7H2,1-3H3
InChIKeyAANSBEDVYLZIHK-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine (CID 134514969) is N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine is CNC1CC(C(F)(F)F)CN(C(C)CSC)C1.
What is the InChIKey of N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine?
The InChIKey is AANSBEDVYLZIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-8(7-17-3)16-5-9(11(12,13)14)4-10(6-16)15-2/h8-10,15H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine?
N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 270.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 134514969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).