4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide

C14H22N4S — CID 81051600

IUPAC4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CC(C)SC(C)C2)cc(C)nc1C
InChIInChI=1S/C14H22N4S/c1-8-5-12(13(14(15)16)11(4)17-8)18-6-9(2)19-10(3)7-18/h5,9-10H,6-7H2,1-4H3,(H3,15,16)
InChIKeyLMRIUHAGRHRJFE-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.31
Rot. Bonds2

About 4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide

4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81051600) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81051600
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CC(C)SC(C)C2)cc(C)nc1C
InChIInChI=1S/C14H22N4S/c1-8-5-12(13(14(15)16)11(4)17-8)18-6-9(2)19-10(3)7-18/h5,9-10H,6-7H2,1-4H3,(H3,15,16)
InChIKeyLMRIUHAGRHRJFE-UHFFFAOYSA-N
XLogP2.31
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide (CID 81051600) is 4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(N2CC(C)SC(C)C2)cc(C)nc1C.
What is the InChIKey of 4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is LMRIUHAGRHRJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-8-5-12(13(14(15)16)11(4)17-8)18-6-9(2)19-10(3)7-18/h5,9-10H,6-7H2,1-4H3,(H3,15,16).
What are the key properties of 4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide?
4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 278.43 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylthiomorpholin-4-yl)-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81051600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).