2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide

C16H24N2S — CID 84748809

IUPAC2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide
SMILESCCC1CCCCN1C(C(N)=S)c1ccccc1C
InChIInChI=1S/C16H24N2S/c1-3-13-9-6-7-11-18(13)15(16(17)19)14-10-5-4-8-12(14)2/h4-5,8,10,13,15H,3,6-7,9,11H2,1-2H3,(H2,17,19)
InChIKeyDGAMCYZPYSGODB-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.59
Rot. Bonds4

About 2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide

2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide (PubChem CID 84748809) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide
PubChem CID84748809
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide
SMILESCCC1CCCCN1C(C(N)=S)c1ccccc1C
InChIInChI=1S/C16H24N2S/c1-3-13-9-6-7-11-18(13)15(16(17)19)14-10-5-4-8-12(14)2/h4-5,8,10,13,15H,3,6-7,9,11H2,1-2H3,(H2,17,19)
InChIKeyDGAMCYZPYSGODB-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide
CID 84748814
ethyl 2-(2-ethylazepan-1-yl)-2-phenylacetate
CID 106677138
[1-[2-amino-1-(2-methylphenyl)butyl]azepan-2-yl]methanol
CID 116634160
1-(2-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018825
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylphenyl)ethanethioamide
CID 84749151
1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine
CID 104688989
2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid
CID 84748999
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 55147079

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide (CID 84748809) is 2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide is CCC1CCCCN1C(C(N)=S)c1ccccc1C.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide?
The InChIKey is DGAMCYZPYSGODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-3-13-9-6-7-11-18(13)15(16(17)19)14-10-5-4-8-12(14)2/h4-5,8,10,13,15H,3,6-7,9,11H2,1-2H3,(H2,17,19).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide?
2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide has a molecular weight of 276.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-2-(2-methylphenyl)ethanethioamide is sourced from PubChem (CID 84748809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).