2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione

C11H18N2OS — CID 4212035

IUPAC2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione
SMILESCC1(C)CC(N2CCOCC2)=CC(=S)N1
InChIInChI=1S/C11H18N2OS/c1-11(2)8-9(7-10(15)12-11)13-3-5-14-6-4-13/h7H,3-6,8H2,1-2H3,(H,12,15)
InChIKeyZHRSRVGGYLIBGB-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.30
Rot. Bonds1

About 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione

2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione (PubChem CID 4212035) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione.

Molecular Properties

Compound Name2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione
PubChem CID4212035
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione
SMILESCC1(C)CC(N2CCOCC2)=CC(=S)N1
InChIInChI=1S/C11H18N2OS/c1-11(2)8-9(7-10(15)12-11)13-3-5-14-6-4-13/h7H,3-6,8H2,1-2H3,(H,12,15)
InChIKeyZHRSRVGGYLIBGB-UHFFFAOYSA-N
XLogP1.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione?
The IUPAC name of 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione (CID 4212035) is 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione.
What is the SMILES notation for 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione?
The canonical SMILES for 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione is CC1(C)CC(N2CCOCC2)=CC(=S)N1.
What is the InChIKey of 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione?
The InChIKey is ZHRSRVGGYLIBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2)8-9(7-10(15)12-11)13-3-5-14-6-4-13/h7H,3-6,8H2,1-2H3,(H,12,15).
What are the key properties of 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione?
2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione has a molecular weight of 226.34 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione is sourced from PubChem (CID 4212035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).