5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide

C15H23N3OS — CID 65340377

IUPAC5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CC(C)SC(C)C2)ccc1OC
InChIInChI=1S/C15H23N3OS/c1-10-7-18(8-11(2)20-10)9-12-4-5-14(19-3)13(6-12)15(16)17/h4-6,10-11H,7-9H2,1-3H3,(H3,16,17)
InChIKeyPDUVBGRIGOOGNG-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.31
Rot. Bonds4

About 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide

5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide (PubChem CID 65340377) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
PubChem CID65340377
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CC(C)SC(C)C2)ccc1OC
InChIInChI=1S/C15H23N3OS/c1-10-7-18(8-11(2)20-10)9-12-4-5-14(19-3)13(6-12)15(16)17/h4-6,10-11H,7-9H2,1-3H3,(H3,16,17)
InChIKeyPDUVBGRIGOOGNG-UHFFFAOYSA-N
XLogP2.31
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol
CID 84594406
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 83227573
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
5-[(4-iodopyrazol-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65340287
5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338983
2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 106790530
5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339301
2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 65340092
2-methoxy-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 65340286
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338703
4-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791012
5-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 65340327

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide (CID 65340377) is 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(CN2CC(C)SC(C)C2)ccc1OC.
What is the InChIKey of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is PDUVBGRIGOOGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-7-18(8-11(2)20-10)9-12-4-5-14(19-3)13(6-12)15(16)17/h4-6,10-11H,7-9H2,1-3H3,(H3,16,17).
What are the key properties of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide?
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 293.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 65340377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).