2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide

C12H18N4OS — CID 77020684

IUPAC2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CN(c2ncccc2C(N)=NO)CC(C)S1
InChIInChI=1S/C12H18N4OS/c1-8-6-16(7-9(2)18-8)12-10(11(13)15-17)4-3-5-14-12/h3-5,8-9,17H,6-7H2,1-2H3,(H2,13,15)
InChIKeyQLMNBAMGANENAU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.51
Rot. Bonds2

About 2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide

2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 77020684) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID77020684
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CN(c2ncccc2C(N)=NO)CC(C)S1
InChIInChI=1S/C12H18N4OS/c1-8-6-16(7-9(2)18-8)12-10(11(13)15-17)4-3-5-14-12/h3-5,8-9,17H,6-7H2,1-2H3,(H2,13,15)
InChIKeyQLMNBAMGANENAU-UHFFFAOYSA-N
XLogP1.51
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide (CID 77020684) is 2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide is CC1CN(c2ncccc2C(N)=NO)CC(C)S1.
What is the InChIKey of 2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is QLMNBAMGANENAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-6-16(7-9(2)18-8)12-10(11(13)15-17)4-3-5-14-12/h3-5,8-9,17H,6-7H2,1-2H3,(H2,13,15).
What are the key properties of 2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide?
2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 266.37 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 77020684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).