1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone

C15H21NOS — CID 5140714

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone
SMILESCC1CCCC(C)N1C(=O)CSc1ccccc1
InChIInChI=1S/C15H21NOS/c1-12-7-6-8-13(2)16(12)15(17)11-18-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3
InChIKeyQBMMWYHVBZEFSZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.57
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone

1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone (PubChem CID 5140714) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone
PubChem CID5140714
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone
SMILESCC1CCCC(C)N1C(=O)CSc1ccccc1
InChIInChI=1S/C15H21NOS/c1-12-7-6-8-13(2)16(12)15(17)11-18-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3
InChIKeyQBMMWYHVBZEFSZ-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone (CID 5140714) is 1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone is CC1CCCC(C)N1C(=O)CSc1ccccc1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone?
The InChIKey is QBMMWYHVBZEFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12-7-6-8-13(2)16(12)15(17)11-18-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone has a molecular weight of 263.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 5140714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).