2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide

C16H25N3OS — CID 84584252

IUPAC2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide
SMILESCC(C)C(NC(=O)N1CCSC(C)C1C)c1ccncc1
InChIInChI=1S/C16H25N3OS/c1-11(2)15(14-5-7-17-8-6-14)18-16(20)19-9-10-21-13(4)12(19)3/h5-8,11-13,15H,9-10H2,1-4H3,(H,18,20)
InChIKeyZSUPHJNTDZEIKH-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.31
Rot. Bonds3

About 2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide

2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide (PubChem CID 84584252) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide
PubChem CID84584252
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide
SMILESCC(C)C(NC(=O)N1CCSC(C)C1C)c1ccncc1
InChIInChI=1S/C16H25N3OS/c1-11(2)15(14-5-7-17-8-6-14)18-16(20)19-9-10-21-13(4)12(19)3/h5-8,11-13,15H,9-10H2,1-4H3,(H,18,20)
InChIKeyZSUPHJNTDZEIKH-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide (CID 84584252) is 2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide is CC(C)C(NC(=O)N1CCSC(C)C1C)c1ccncc1.
What is the InChIKey of 2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide?
The InChIKey is ZSUPHJNTDZEIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-11(2)15(14-5-7-17-8-6-14)18-16(20)19-9-10-21-13(4)12(19)3/h5-8,11-13,15H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide?
2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methyl-1-pyridin-4-ylpropyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 84584252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).