(2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone

C12H22N2OS — CID 115740169

IUPAC(2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)C2CCCC2N)CCS1
InChIInChI=1S/C12H22N2OS/c1-2-9-8-14(6-7-16-9)12(15)10-4-3-5-11(10)13/h9-11H,2-8,13H2,1H3
InChIKeyIQFYJOQRAKUDLJ-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.47
Rot. Bonds2

About (2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone

(2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone (PubChem CID 115740169) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone
PubChem CID115740169
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)C2CCCC2N)CCS1
InChIInChI=1S/C12H22N2OS/c1-2-9-8-14(6-7-16-9)12(15)10-4-3-5-11(10)13/h9-11H,2-8,13H2,1H3
InChIKeyIQFYJOQRAKUDLJ-UHFFFAOYSA-N
XLogP1.47
TPSA46.33 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone
CID 164661854
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
(2-aminocyclopentyl)-(3-propylpyrrolidin-1-yl)methanone
CID 115739353
(2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone
CID 115734522
(2-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55215394
(2-aminocyclopentyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624969
3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one
CID 115734525
(2-aminocyclopentyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64853017
(2-aminocyclopentyl)-(3-propoxypiperidin-1-yl)methanone
CID 64822657
[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone
CID 124683875
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone?
The IUPAC name of (2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone (CID 115740169) is (2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone?
The canonical SMILES for (2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone is CCC1CN(C(=O)C2CCCC2N)CCS1.
What is the InChIKey of (2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone?
The InChIKey is IQFYJOQRAKUDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-2-9-8-14(6-7-16-9)12(15)10-4-3-5-11(10)13/h9-11H,2-8,13H2,1H3.
What are the key properties of (2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone?
(2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone has a molecular weight of 242.39 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 115740169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).