1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone

C16H23NOS — CID 5064795

IUPAC1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCCC1CCCCN1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C16H23NOS/c1-3-14-6-4-5-11-17(14)16(18)12-19-15-9-7-13(2)8-10-15/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyDIPJTPLTKVTGHY-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.88
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone

1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 5064795) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID5064795
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCCC1CCCCN1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C16H23NOS/c1-3-14-6-4-5-11-17(14)16(18)12-19-15-9-7-13(2)8-10-15/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyDIPJTPLTKVTGHY-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-((4-methylphenyl)sulfanyl)acetamide
CID 557617
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
1-[2-(4-Methylphenyl)sulfanylacetyl]piperidine-4-carboxamide
CID 886822
N-methyl-1-[3-(methylthio)propanoyl]-N-(2-phenylethyl)piperidin-3-amine
CID 23723498
1-Morpholino-2-(p-tolylthio)ethanone
CID 875760
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
1-(4-Ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone
CID 977706
3-Methyl-1-[4-(4-methylsulfanyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742527
2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 846730
3-[(4-methylphenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 848239
2-[(4-Methylphenyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
CID 875861
1-{3-[(4-Methylphenyl)thio]propanoyl}pyrrolidine
CID 893368

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone (CID 5064795) is 1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone is CCC1CCCCN1C(=O)CSc1ccc(C)cc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is DIPJTPLTKVTGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-3-14-6-4-5-11-17(14)16(18)12-19-15-9-7-13(2)8-10-15/h7-10,14H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 277.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 5064795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).