2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone

C15H21NOS — CID 116685051

IUPAC2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)CC2CC(C)CCN2)cc1
InChIInChI=1S/C15H21NOS/c1-11-7-8-16-13(9-11)10-15(17)12-3-5-14(18-2)6-4-12/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyMGWVUUVLQWPFFI-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone

2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 116685051) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID116685051
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)CC2CC(C)CCN2)cc1
InChIInChI=1S/C15H21NOS/c1-11-7-8-16-13(9-11)10-15(17)12-3-5-14(18-2)6-4-12/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyMGWVUUVLQWPFFI-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone (CID 116685051) is 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)CC2CC(C)CCN2)cc1.
What is the InChIKey of 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is MGWVUUVLQWPFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-7-8-16-13(9-11)10-15(17)12-3-5-14(18-2)6-4-12/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone?
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 263.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 116685051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).