2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone

C15H20ClNOS — CID 882512

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNOS/c1-12-6-8-17(9-7-12)15(18)11-19-10-13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3
InChIKeyOYLNWIWQWVSRTK-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.83
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone

2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 882512) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID882512
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNOS/c1-12-6-8-17(9-7-12)15(18)11-19-10-13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3
InChIKeyOYLNWIWQWVSRTK-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone (CID 882512) is 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is OYLNWIWQWVSRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c1-12-6-8-17(9-7-12)15(18)11-19-10-13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 297.85 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 882512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).