2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide

C14H20N2OS — CID 84748846

IUPAC2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide
SMILESCC1CCCN(C(C(N)=S)c2ccc(O)cc2)C1
InChIInChI=1S/C14H20N2OS/c1-10-3-2-8-16(9-10)13(14(15)18)11-4-6-12(17)7-5-11/h4-7,10,13,17H,2-3,8-9H2,1H3,(H2,15,18)
InChIKeyWWKHEUPFPXQCNQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide

2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide (PubChem CID 84748846) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide
PubChem CID84748846
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide
SMILESCC1CCCN(C(C(N)=S)c2ccc(O)cc2)C1
InChIInChI=1S/C14H20N2OS/c1-10-3-2-8-16(9-10)13(14(15)18)11-4-6-12(17)7-5-11/h4-7,10,13,17H,2-3,8-9H2,1H3,(H2,15,18)
InChIKeyWWKHEUPFPXQCNQ-UHFFFAOYSA-N
XLogP2.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide
CID 84748876
2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide
CID 84748959
2-(azepan-1-yl)-2-phenylethanethioamide
CID 84758024
2-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide
CID 84748971
3-(3-methylpiperidin-1-yl)pentanethioamide
CID 43367645
N-(methylcarbamoyl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 51167810
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethanethioamide
CID 84748593
1-[2-amino-1-(4-methylphenyl)-2-sulfanylideneethyl]piperidine-4-carboxylic acid
CID 84758050
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
2-(4-fluoro-3-methylphenyl)-2-pyrrolidin-1-ylethanethioamide
CID 84758146
(2S)-N-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 51673367

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide (CID 84748846) is 2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide is CC1CCCN(C(C(N)=S)c2ccc(O)cc2)C1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide?
The InChIKey is WWKHEUPFPXQCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-3-2-8-16(9-10)13(14(15)18)11-4-6-12(17)7-5-11/h4-7,10,13,17H,2-3,8-9H2,1H3,(H2,15,18).
What are the key properties of 2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide?
2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide has a molecular weight of 264.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanethioamide is sourced from PubChem (CID 84748846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).