2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide

C18H28N4OS — CID 71859669

IUPAC2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)N3CCSC(C)(C)C3)CC2)nc1
InChIInChI=1S/C18H28N4OS/c1-14-4-5-16(19-12-14)21-8-6-15(7-9-21)20-17(23)22-10-11-24-18(2,3)13-22/h4-5,12,15H,6-11,13H2,1-3H3,(H,20,23)
InChIKeyDAUSCWPMIJCIHY-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.90
Rot. Bonds2

About 2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide

2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide (PubChem CID 71859669) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide
PubChem CID71859669
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)N3CCSC(C)(C)C3)CC2)nc1
InChIInChI=1S/C18H28N4OS/c1-14-4-5-16(19-12-14)21-8-6-15(7-9-21)20-17(23)22-10-11-24-18(2,3)13-22/h4-5,12,15H,6-11,13H2,1-3H3,(H,20,23)
InChIKeyDAUSCWPMIJCIHY-UHFFFAOYSA-N
XLogP2.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide (CID 71859669) is 2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide is Cc1ccc(N2CCC(NC(=O)N3CCSC(C)(C)C3)CC2)nc1.
What is the InChIKey of 2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide?
The InChIKey is DAUSCWPMIJCIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-14-4-5-16(19-12-14)21-8-6-15(7-9-21)20-17(23)22-10-11-24-18(2,3)13-22/h4-5,12,15H,6-11,13H2,1-3H3,(H,20,23).
What are the key properties of 2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide?
2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide has a molecular weight of 348.52 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 71859669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).