1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone

C13H24N2OS — CID 67583660

IUPAC1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone
SMILESCCC1CCN(C(=O)CN2CCSCC2)CC1
InChIInChI=1S/C13H24N2OS/c1-2-12-3-5-15(6-4-12)13(16)11-14-7-9-17-10-8-14/h12H,2-11H2,1H3
InChIKeyLMMMTMFEKCQVFH-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.68
Rot. Bonds3

About 1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone

1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone (PubChem CID 67583660) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone
PubChem CID67583660
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone
SMILESCCC1CCN(C(=O)CN2CCSCC2)CC1
InChIInChI=1S/C13H24N2OS/c1-2-12-3-5-15(6-4-12)13(16)11-14-7-9-17-10-8-14/h12H,2-11H2,1H3
InChIKeyLMMMTMFEKCQVFH-UHFFFAOYSA-N
XLogP1.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone
CID 177001050
ethane;1-(4-ethylpiperazin-1-yl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 162725519
1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156799298
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride
CID 66546739
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
CID 141282444
1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 176984404
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
2-(4-ethylpiperidin-1-yl)acetamide
CID 23381133
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
1-cyclopropyl-2-(4-ethylpiperidin-1-yl)ethanone
CID 63913438

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone (CID 67583660) is 1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone is CCC1CCN(C(=O)CN2CCSCC2)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone?
The InChIKey is LMMMTMFEKCQVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-2-12-3-5-15(6-4-12)13(16)11-14-7-9-17-10-8-14/h12H,2-11H2,1H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone?
1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone has a molecular weight of 256.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone is sourced from PubChem (CID 67583660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).