2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine

C15H24N2OS — CID 80622026

IUPAC2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine
SMILESCNC(Cc1ncc(C)c(OC)c1C)C1CCCS1
InChIInChI=1S/C15H24N2OS/c1-10-9-17-12(11(2)15(10)18-4)8-13(16-3)14-6-5-7-19-14/h9,13-14,16H,5-8H2,1-4H3
InChIKeyXIAIEKNOGKLYRX-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.73
Rot. Bonds5

About 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine (PubChem CID 80622026) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine
PubChem CID80622026
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine
SMILESCNC(Cc1ncc(C)c(OC)c1C)C1CCCS1
InChIInChI=1S/C15H24N2OS/c1-10-9-17-12(11(2)15(10)18-4)8-13(16-3)14-6-5-7-19-14/h9,13-14,16H,5-8H2,1-4H3
InChIKeyXIAIEKNOGKLYRX-UHFFFAOYSA-N
XLogP2.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine?
The IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine (CID 80622026) is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine is CNC(Cc1ncc(C)c(OC)c1C)C1CCCS1.
What is the InChIKey of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine?
The InChIKey is XIAIEKNOGKLYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10-9-17-12(11(2)15(10)18-4)8-13(16-3)14-6-5-7-19-14/h9,13-14,16H,5-8H2,1-4H3.
What are the key properties of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine?
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine has a molecular weight of 280.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80622026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).