3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine

C13H26N2S — CID 66422321

IUPAC3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine
SMILESCCC1CCCCN1CCC1CSCCN1
InChIInChI=1S/C13H26N2S/c1-2-13-5-3-4-8-15(13)9-6-12-11-16-10-7-14-12/h12-14H,2-11H2,1H3
InChIKeyNWCAVFDRWRWRTA-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.35
Rot. Bonds4

About 3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine

3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine (PubChem CID 66422321) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine
PubChem CID66422321
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine
SMILESCCC1CCCCN1CCC1CSCCN1
InChIInChI=1S/C13H26N2S/c1-2-13-5-3-4-8-15(13)9-6-12-11-16-10-7-14-12/h12-14H,2-11H2,1H3
InChIKeyNWCAVFDRWRWRTA-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine?
The IUPAC name of 3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine (CID 66422321) is 3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine?
The canonical SMILES for 3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine is CCC1CCCCN1CCC1CSCCN1.
What is the InChIKey of 3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine?
The InChIKey is NWCAVFDRWRWRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-13-5-3-4-8-15(13)9-6-12-11-16-10-7-14-12/h12-14H,2-11H2,1H3.
What are the key properties of 3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine?
3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine has a molecular weight of 242.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine is sourced from PubChem (CID 66422321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).