1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone

C9H17NOS — CID 12517847

IUPAC1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone
SMILESCCC1C(C)SCCN1C(C)=O
InChIInChI=1S/C9H17NOS/c1-4-9-7(2)12-6-5-10(9)8(3)11/h7,9H,4-6H2,1-3H3
InChIKeyBUCSWTXVBJXNRL-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.75
Rot. Bonds1

About 1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone

1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone (PubChem CID 12517847) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone
PubChem CID12517847
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone
SMILESCCC1C(C)SCCN1C(C)=O
InChIInChI=1S/C9H17NOS/c1-4-9-7(2)12-6-5-10(9)8(3)11/h7,9H,4-6H2,1-3H3
InChIKeyBUCSWTXVBJXNRL-UHFFFAOYSA-N
XLogP1.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexylsulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 5203813
1-[4-(Thiolan-3-yl)piperazin-1-yl]ethanone
CID 6456386
2-Methyl-3-athyl-4-formyl-thiomorpholin
CID 19848504
2-fluoro-1-[(2R)-2-methyl-4-methylsulfanylpiperidin-1-yl]ethanone
CID 169997336
2-Methyl-3-athyl-4-cyanacetyl-thiomorpholin
CID 12517878
2-Methyl-3-athyl-4-chlorcarbonyl-thiomorpholin
CID 129628636
1-(2,3-Dimethylthiomorpholin-4-yl)-2,2-difluoroethanone
CID 103516088
1-(2,3-Dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone
CID 115634505
3,3,3-Trifluoro-1-(3-methylthiomorpholin-4-yl)propan-1-one
CID 126781695
1-(2,3-Dimethylthiomorpholin-4-yl)-2-fluoro-2-methylpropan-1-one
CID 130165378
2-Fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one
CID 130165379
2,2,2-Trifluoro-n-methyl-n-(thian-4-yl)acetamide
CID 164649544

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone?
The IUPAC name of 1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone (CID 12517847) is 1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone is CCC1C(C)SCCN1C(C)=O.
What is the InChIKey of 1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone?
The InChIKey is BUCSWTXVBJXNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-4-9-7(2)12-6-5-10(9)8(3)11/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone?
1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone has a molecular weight of 187.31 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 12517847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).