(4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C12H15F3N2OS — CID 61101824

IUPAC(4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1sc(C(=O)N2CCCC(C(F)(F)F)C2)cc1N
InChIInChI=1S/C12H15F3N2OS/c1-7-9(16)5-10(19-7)11(18)17-4-2-3-8(6-17)12(13,14)15/h5,8H,2-4,6,16H2,1H3
InChIKeyNRARHJGVGUQJQW-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.05
Rot. Bonds1

About (4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 61101824) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is (4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID61101824
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name(4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1sc(C(=O)N2CCCC(C(F)(F)F)C2)cc1N
InChIInChI=1S/C12H15F3N2OS/c1-7-9(16)5-10(19-7)11(18)17-4-2-3-8(6-17)12(13,14)15/h5,8H,2-4,6,16H2,1H3
InChIKeyNRARHJGVGUQJQW-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 61101824) is (4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1sc(C(=O)N2CCCC(C(F)(F)F)C2)cc1N.
What is the InChIKey of (4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is NRARHJGVGUQJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-7-9(16)5-10(19-7)11(18)17-4-2-3-8(6-17)12(13,14)15/h5,8H,2-4,6,16H2,1H3.
What are the key properties of (4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 292.33 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylthiophen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61101824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).