1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone

C15H22N2O2S — CID 103506547

IUPAC1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CCCC(C)(O)C2)c(C2CC2)c1N
InChIInChI=1S/C15H22N2O2S/c1-9(18)13-12(16)11(10-4-5-10)14(20-13)17-7-3-6-15(2,19)8-17/h10,19H,3-8,16H2,1-2H3
InChIKeyVOAYSDJLLFEXGX-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.76
Rot. Bonds3

About 1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone

1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone (PubChem CID 103506547) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone
PubChem CID103506547
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CCCC(C)(O)C2)c(C2CC2)c1N
InChIInChI=1S/C15H22N2O2S/c1-9(18)13-12(16)11(10-4-5-10)14(20-13)17-7-3-6-15(2,19)8-17/h10,19H,3-8,16H2,1-2H3
InChIKeyVOAYSDJLLFEXGX-UHFFFAOYSA-N
XLogP2.76
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone (CID 103506547) is 1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone is CC(=O)c1sc(N2CCCC(C)(O)C2)c(C2CC2)c1N.
What is the InChIKey of 1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone?
The InChIKey is VOAYSDJLLFEXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-9(18)13-12(16)11(10-4-5-10)14(20-13)17-7-3-6-15(2,19)8-17/h10,19H,3-8,16H2,1-2H3.
What are the key properties of 1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone?
1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone has a molecular weight of 294.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 103506547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).