(2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone

C12H22N2OS — CID 115734522

IUPAC(2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone
SMILESCCC1CN(C(=O)C2CCCCN2)CCS1
InChIInChI=1S/C12H22N2OS/c1-2-10-9-14(7-8-16-10)12(15)11-5-3-4-6-13-11/h10-11,13H,2-9H2,1H3
InChIKeyVKYBKUZAONNDRW-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.48
Rot. Bonds2

About (2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone

(2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone (PubChem CID 115734522) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone
PubChem CID115734522
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone
SMILESCCC1CN(C(=O)C2CCCCN2)CCS1
InChIInChI=1S/C12H22N2OS/c1-2-10-9-14(7-8-16-10)12(15)11-5-3-4-6-13-11/h10-11,13H,2-9H2,1H3
InChIKeyVKYBKUZAONNDRW-UHFFFAOYSA-N
XLogP1.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperidin-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 114429590
(3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 121202941
[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415
azepan-2-yl(thiomorpholin-4-yl)methanone
CID 64563385
(2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone
CID 115740169
[3-(2-methylpropoxy)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119345316
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913920
1,2,5-dithiazepan-5-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 131153732
(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901147
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119341172

Frequently Asked Questions

What is the IUPAC name of (2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone?
The IUPAC name of (2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone (CID 115734522) is (2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone is CCC1CN(C(=O)C2CCCCN2)CCS1.
What is the InChIKey of (2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone?
The InChIKey is VKYBKUZAONNDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-2-10-9-14(7-8-16-10)12(15)11-5-3-4-6-13-11/h10-11,13H,2-9H2,1H3.
What are the key properties of (2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone?
(2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone has a molecular weight of 242.39 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 115734522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).