(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone

C11H16N2OS — CID 61091260

IUPAC(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C11H16N2OS/c1-8-2-5-13(6-3-8)11(14)10-9(12)4-7-15-10/h4,7-8H,2-3,5-6,12H2,1H3
InChIKeyONKNRRUEWICZDL-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.20
Rot. Bonds1

About (3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone

(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 61091260) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID61091260
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C11H16N2OS/c1-8-2-5-13(6-3-8)11(14)10-9(12)4-7-15-10/h4,7-8H,2-3,5-6,12H2,1H3
InChIKeyONKNRRUEWICZDL-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 61091260) is (3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2sccc2N)CC1.
What is the InChIKey of (3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ONKNRRUEWICZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-2-5-13(6-3-8)11(14)10-9(12)4-7-15-10/h4,7-8H,2-3,5-6,12H2,1H3.
What are the key properties of (3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone?
(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 61091260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).