1-morpholin-4-yl-2-(thian-4-yl)ethanone

C11H19NO2S — CID 80708399

IUPAC1-morpholin-4-yl-2-(thian-4-yl)ethanone
SMILESO=C(CC1CCSCC1)N1CCOCC1
InChIInChI=1S/C11H19NO2S/c13-11(12-3-5-14-6-4-12)9-10-1-7-15-8-2-10/h10H,1-9H2
InChIKeyQHCAZKWPUJIFDI-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.38
Rot. Bonds2

About 1-morpholin-4-yl-2-(thian-4-yl)ethanone

1-morpholin-4-yl-2-(thian-4-yl)ethanone (PubChem CID 80708399) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(thian-4-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(thian-4-yl)ethanone
PubChem CID80708399
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name1-morpholin-4-yl-2-(thian-4-yl)ethanone
SMILESO=C(CC1CCSCC1)N1CCOCC1
InChIInChI=1S/C11H19NO2S/c13-11(12-3-5-14-6-4-12)9-10-1-7-15-8-2-10/h10H,1-9H2
InChIKeyQHCAZKWPUJIFDI-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methylpiperidin-1-yl)-2-(2-morpholin-4-ylethylsulfanyl)ethanone
CID 75360759
3-Morpholino-4-morpholinocarbonylmethylthiolane
CID 129799793
3-Methoxy-4-morpholinocarbonylmethylthiolane
CID 129800565
4-{3-[1-(Tetrahydro-3-thienyl)-4-piperidinyl]propanoyl}morpholine
CID 45235403
4-Tert-butylsulfanyl-1-morpholin-4-ylbutan-1-one
CID 59176720
CID 59324965
CID 59324965
(3R)-3-methyl-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one
CID 70315481
5-Methylsulfanyl-1-morpholin-4-ylpentan-1-one
CID 70882395
(4-Methylsulfanylcyclohexyl)-morpholin-4-ylmethanone
CID 123361955
4-Methylsulfanyl-1-morpholin-4-ylpentan-1-one
CID 167146370
2-(1,1-Dioxothiolan-3-yl)-1-morpholin-4-ylethanone
CID 3555769
2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone
CID 7197442

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(thian-4-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(thian-4-yl)ethanone (CID 80708399) is 1-morpholin-4-yl-2-(thian-4-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(thian-4-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(thian-4-yl)ethanone is O=C(CC1CCSCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(thian-4-yl)ethanone?
The InChIKey is QHCAZKWPUJIFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-11(12-3-5-14-6-4-12)9-10-1-7-15-8-2-10/h10H,1-9H2.
What are the key properties of 1-morpholin-4-yl-2-(thian-4-yl)ethanone?
1-morpholin-4-yl-2-(thian-4-yl)ethanone has a molecular weight of 229.34 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(thian-4-yl)ethanone is sourced from PubChem (CID 80708399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).