5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide

C15H22N2O2S — CID 65339301

IUPAC5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
SMILESCOc1ccc(CN2CC(C)OC(C)C2)cc1C(N)=S
InChIInChI=1S/C15H22N2O2S/c1-10-7-17(8-11(2)19-10)9-12-4-5-14(18-3)13(6-12)15(16)20/h4-6,10-11H,7-9H2,1-3H3,(H2,16,20)
InChIKeyYEXQBQABZIRREI-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.94
Rot. Bonds4

About 5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide

5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide (PubChem CID 65339301) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
PubChem CID65339301
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
SMILESCOc1ccc(CN2CC(C)OC(C)C2)cc1C(N)=S
InChIInChI=1S/C15H22N2O2S/c1-10-7-17(8-11(2)19-10)9-12-4-5-14(18-3)13(6-12)15(16)20/h4-6,10-11H,7-9H2,1-3H3,(H2,16,20)
InChIKeyYEXQBQABZIRREI-UHFFFAOYSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[(2-methylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 65339348
5-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339637
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790134
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 24703494
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methoxybenzenecarbothioamide
CID 65339067
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339019
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
CID 51924313
(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
CID 755065
2-methoxy-5-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 65343846
4-[(3-bromo-4-methoxyphenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936661

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide?
The IUPAC name of 5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide (CID 65339301) is 5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide.
What is the SMILES notation for 5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide?
The canonical SMILES for 5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide is COc1ccc(CN2CC(C)OC(C)C2)cc1C(N)=S.
What is the InChIKey of 5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide?
The InChIKey is YEXQBQABZIRREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-7-17(8-11(2)19-10)9-12-4-5-14(18-3)13(6-12)15(16)20/h4-6,10-11H,7-9H2,1-3H3,(H2,16,20).
What are the key properties of 5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide?
5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide has a molecular weight of 294.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide is sourced from PubChem (CID 65339301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).