1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone

C13H23NOS — CID 104750832

IUPAC1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)C2CCCC2)CC(C)S1
InChIInChI=1S/C13H23NOS/c1-10-7-14(8-11(2)16-10)9-13(15)12-5-3-4-6-12/h10-12H,3-9H2,1-2H3
InChIKeyMYIUAYCNEGGXKA-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.57
Rot. Bonds3

About 1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone

1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone (PubChem CID 104750832) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone
PubChem CID104750832
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)C2CCCC2)CC(C)S1
InChIInChI=1S/C13H23NOS/c1-10-7-14(8-11(2)16-10)9-13(15)12-5-3-4-6-12/h10-12H,3-9H2,1-2H3
InChIKeyMYIUAYCNEGGXKA-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 104749900
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 104750771
1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104751088
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
CID 104751072
2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
CID 113448723
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594142
1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 104750643
1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 113448813

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone (CID 104750832) is 1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone is CC1CN(CC(=O)C2CCCC2)CC(C)S1.
What is the InChIKey of 1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone?
The InChIKey is MYIUAYCNEGGXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-10-7-14(8-11(2)16-10)9-13(15)12-5-3-4-6-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone?
1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone has a molecular weight of 241.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 104750832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).