3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one

C11H17N3O3S — CID 138052291

IUPAC3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one
SMILESCC1CN(C(=O)Cn2ncsc2=O)CC(C)(C)O1
InChIInChI=1S/C11H17N3O3S/c1-8-4-13(6-11(2,3)17-8)9(15)5-14-10(16)18-7-12-14/h7-8H,4-6H2,1-3H3
InChIKeyQFAGZABPGGBPCL-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.33
Rot. Bonds2

About 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one

3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one (PubChem CID 138052291) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one
PubChem CID138052291
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one
SMILESCC1CN(C(=O)Cn2ncsc2=O)CC(C)(C)O1
InChIInChI=1S/C11H17N3O3S/c1-8-4-13(6-11(2,3)17-8)9(15)5-14-10(16)18-7-12-14/h7-8H,4-6H2,1-3H3
InChIKeyQFAGZABPGGBPCL-UHFFFAOYSA-N
XLogP0.33
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 95586221
1-methyl-3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 48689001
3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one
CID 136569526
2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 129351146
N,N-diethyl-2,2,6-trimethylmorpholine-4-carboxamide
CID 115618659
(1-aminocyclopropyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 119748927
thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688223
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 126787102
2-[methoxy(methyl)amino]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 166255971
2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 48688350
thiadiazol-4-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432669

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one?
The IUPAC name of 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one (CID 138052291) is 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one?
The canonical SMILES for 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one is CC1CN(C(=O)Cn2ncsc2=O)CC(C)(C)O1.
What is the InChIKey of 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one?
The InChIKey is QFAGZABPGGBPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-4-13(6-11(2,3)17-8)9(15)5-14-10(16)18-7-12-14/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one?
3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one has a molecular weight of 271.34 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 138052291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).