[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone

C11H16N2OS — CID 81427148

IUPAC[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C11H16N2OS/c1-8-3-6-15-10(8)11(14)13-5-4-12-9(2)7-13/h3,6,9,12H,4-5,7H2,1-2H3/t9-/m1/s1
InChIKeyNUXQGRHLFBZLGD-SECBINFHSA-N
MW224.33 g/mol
LogP1.49
Rot. Bonds1

About [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone

[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 81427148) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID81427148
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C11H16N2OS/c1-8-3-6-15-10(8)11(14)13-5-4-12-9(2)7-13/h3,6,9,12H,4-5,7H2,1-2H3/t9-/m1/s1
InChIKeyNUXQGRHLFBZLGD-SECBINFHSA-N
XLogP1.49
TPSA32.34 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 81427148) is [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCN[C@H](C)C1.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is NUXQGRHLFBZLGD-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-3-6-15-10(8)11(14)13-5-4-12-9(2)7-13/h3,6,9,12H,4-5,7H2,1-2H3/t9-/m1/s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 81427148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).