4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile

C17H22N4O2S — CID 154583149

IUPAC4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCOC(C(=O)N3CCSCC3)C2)n1
InChIInChI=1S/C17H22N4O2S/c1-12-9-13(2)19-16(14(12)10-18)21-3-6-23-15(11-21)17(22)20-4-7-24-8-5-20/h9,15H,3-8,11H2,1-2H3
InChIKeyFPBZYSJGVNRQIF-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.35
Rot. Bonds2

About 4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile

4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile (PubChem CID 154583149) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile
PubChem CID154583149
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCOC(C(=O)N3CCSCC3)C2)n1
InChIInChI=1S/C17H22N4O2S/c1-12-9-13(2)19-16(14(12)10-18)21-3-6-23-15(11-21)17(22)20-4-7-24-8-5-20/h9,15H,3-8,11H2,1-2H3
InChIKeyFPBZYSJGVNRQIF-UHFFFAOYSA-N
XLogP1.35
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile (CID 154583149) is 4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCOC(C(=O)N3CCSCC3)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile?
The InChIKey is FPBZYSJGVNRQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-9-13(2)19-16(14(12)10-18)21-3-6-23-15(11-21)17(22)20-4-7-24-8-5-20/h9,15H,3-8,11H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile?
4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile has a molecular weight of 346.46 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 154583149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).