1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

C10H15N3O2S2 — CID 52672736

IUPAC1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESCC[C@@H]1CN(C(=O)CSc2nncs2)CCO1
InChIInChI=1S/C10H15N3O2S2/c1-2-8-5-13(3-4-15-8)9(14)6-16-10-12-11-7-17-10/h7-8H,2-6H2,1H3/t8-/m1/s1
InChIKeyUIWDJNNHNAEPMJ-MRVPVSSYSA-N
MW273.38 g/mol
LogP1.27
Rot. Bonds4

About 1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (PubChem CID 52672736) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
PubChem CID52672736
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESCC[C@@H]1CN(C(=O)CSc2nncs2)CCO1
InChIInChI=1S/C10H15N3O2S2/c1-2-8-5-13(3-4-15-8)9(14)6-16-10-12-11-7-17-10/h7-8H,2-6H2,1H3/t8-/m1/s1
InChIKeyUIWDJNNHNAEPMJ-MRVPVSSYSA-N
XLogP1.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 60507668
1-(2-ethylmorpholin-4-yl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 48551246
1-(2-ethylmorpholin-4-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 47079861
1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 24577406
3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one
CID 8881349
1-[(3S)-3-anilinopiperidin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 97082734
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
CID 52511234
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(2-ethylmorpholin-4-yl)ethanone
CID 47079863
1-[(2S)-2-ethylmorpholin-4-yl]-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 52522210
2-ethylmorpholine-4-carboxylic acid
CID 121455686
N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
CID 42041834
2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
CID 96547494

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (CID 52672736) is 1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is CC[C@@H]1CN(C(=O)CSc2nncs2)CCO1.
What is the InChIKey of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The InChIKey is UIWDJNNHNAEPMJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-2-8-5-13(3-4-15-8)9(14)6-16-10-12-11-7-17-10/h7-8H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone has a molecular weight of 273.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 52672736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).