1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone

C16H23NOS — CID 2951823

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H23NOS/c1-12-4-6-15(7-5-12)19-11-16(18)17-9-13(2)8-14(3)10-17/h4-7,13-14H,8-11H2,1-3H3
InChIKeyFOKGSTRHETVAOS-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.59
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone

1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 2951823) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID2951823
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H23NOS/c1-12-4-6-15(7-5-12)19-11-16(18)17-9-13(2)8-14(3)10-17/h4-7,13-14H,8-11H2,1-3H3
InChIKeyFOKGSTRHETVAOS-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone (CID 2951823) is 1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone is Cc1ccc(SCC(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is FOKGSTRHETVAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-12-4-6-15(7-5-12)19-11-16(18)17-9-13(2)8-14(3)10-17/h4-7,13-14H,8-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 277.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 2951823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).