2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide

C11H15NO2S — CID 10198432

IUPAC2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
SMILESCOc1ccc(C(O)C(=S)N(C)C)cc1
InChIInChI=1S/C11H15NO2S/c1-12(2)11(15)10(13)8-4-6-9(14-3)7-5-8/h4-7,10,13H,1-3H3
InChIKeyAPCOHJJYWLSEHI-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.62
Rot. Bonds3

About 2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide

2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide (PubChem CID 10198432) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide.

Molecular Properties

Compound Name2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
PubChem CID10198432
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
SMILESCOc1ccc(C(O)C(=S)N(C)C)cc1
InChIInChI=1S/C11H15NO2S/c1-12(2)11(15)10(13)8-4-6-9(14-3)7-5-8/h4-7,10,13H,1-3H3
InChIKeyAPCOHJJYWLSEHI-UHFFFAOYSA-N
XLogP1.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
CID 10514834
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
calcium bis(2-hydroxy-2-(4-methoxyphenyl)acetate)
CID 140565006
3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
CID 70435403
CID 175713586
CID 175713586
chloro-(4-methoxyphenyl)methanol
CID 130923369
2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone
CID 23319775
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide?
The IUPAC name of 2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide (CID 10198432) is 2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide.
What is the SMILES notation for 2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide?
The canonical SMILES for 2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide is COc1ccc(C(O)C(=S)N(C)C)cc1.
What is the InChIKey of 2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide?
The InChIKey is APCOHJJYWLSEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12(2)11(15)10(13)8-4-6-9(14-3)7-5-8/h4-7,10,13H,1-3H3.
What are the key properties of 2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide?
2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide has a molecular weight of 225.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide is sourced from PubChem (CID 10198432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).