2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine

C13H26N2S — CID 107069481

IUPAC2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine
SMILESCCC1CN(CC2NCCCC2C)CCS1
InChIInChI=1S/C13H26N2S/c1-3-12-9-15(7-8-16-12)10-13-11(2)5-4-6-14-13/h11-14H,3-10H2,1-2H3
InChIKeyYIIAJSLLGFMUHP-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds3

About 2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine

2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine (PubChem CID 107069481) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine
PubChem CID107069481
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine
SMILESCCC1CN(CC2NCCCC2C)CCS1
InChIInChI=1S/C13H26N2S/c1-3-12-9-15(7-8-16-12)10-13-11(2)5-4-6-14-13/h11-14H,3-10H2,1-2H3
InChIKeyYIIAJSLLGFMUHP-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine?
The IUPAC name of 2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine (CID 107069481) is 2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine.
What is the SMILES notation for 2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine?
The canonical SMILES for 2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine is CCC1CN(CC2NCCCC2C)CCS1.
What is the InChIKey of 2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine?
The InChIKey is YIIAJSLLGFMUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-3-12-9-15(7-8-16-12)10-13-11(2)5-4-6-14-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine?
2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine is sourced from PubChem (CID 107069481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).