1-(2-ethylthiomorpholin-4-yl)ethanone

C8H15NOS — CID 115661648

IUPAC1-(2-ethylthiomorpholin-4-yl)ethanone
SMILESCCC1CN(C(C)=O)CCS1
InChIInChI=1S/C8H15NOS/c1-3-8-6-9(7(2)10)4-5-11-8/h8H,3-6H2,1-2H3
InChIKeyBRCCPTAZTPRJOR-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.36
Rot. Bonds1

About 1-(2-ethylthiomorpholin-4-yl)ethanone

1-(2-ethylthiomorpholin-4-yl)ethanone (PubChem CID 115661648) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-(2-ethylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylthiomorpholin-4-yl)ethanone
PubChem CID115661648
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name1-(2-ethylthiomorpholin-4-yl)ethanone
SMILESCCC1CN(C(C)=O)CCS1
InChIInChI=1S/C8H15NOS/c1-3-8-6-9(7(2)10)4-5-11-8/h8H,3-6H2,1-2H3
InChIKeyBRCCPTAZTPRJOR-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one
CID 115734525
3-(2-ethylthiomorpholin-4-yl)-2-methyl-3-oxopropanoic acid
CID 114899063
1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
CID 103709578
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
2-ethyl-N-methylthiomorpholine-4-carbothioamide
CID 115662486
(2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one
CID 103831798
1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone
CID 103709580
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 109484756
2-[2-(2-ethylthiomorpholin-4-yl)-2-oxoethyl]benzoic acid
CID 115923875
(2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone
CID 115740169
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109484755
(2-ethylthiomorpholin-4-yl)-(3,4,5-trifluorophenyl)methanone
CID 115661644

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylthiomorpholin-4-yl)ethanone?
The IUPAC name of 1-(2-ethylthiomorpholin-4-yl)ethanone (CID 115661648) is 1-(2-ethylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(2-ethylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 1-(2-ethylthiomorpholin-4-yl)ethanone is CCC1CN(C(C)=O)CCS1.
What is the InChIKey of 1-(2-ethylthiomorpholin-4-yl)ethanone?
The InChIKey is BRCCPTAZTPRJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-3-8-6-9(7(2)10)4-5-11-8/h8H,3-6H2,1-2H3.
What are the key properties of 1-(2-ethylthiomorpholin-4-yl)ethanone?
1-(2-ethylthiomorpholin-4-yl)ethanone has a molecular weight of 173.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 115661648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).