1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

C11H17N3O2S2 — CID 25466424

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C11H17N3O2S2/c1-7-4-14(5-8(2)16-7)10(15)6-17-11-13-12-9(3)18-11/h7-8H,4-6H2,1-3H3/t7-,8+
InChIKeyDCFPREVSEMSGNV-OCAPTIKFSA-N
MW287.41 g/mol
LogP1.57
Rot. Bonds3

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (PubChem CID 25466424) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
PubChem CID25466424
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C11H17N3O2S2/c1-7-4-14(5-8(2)16-7)10(15)6-17-11-13-12-9(3)18-11/h7-8H,4-6H2,1-3H3/t7-,8+
InChIKeyDCFPREVSEMSGNV-OCAPTIKFSA-N
XLogP1.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (CID 25466424) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)N2C[C@@H](C)O[C@@H](C)C2)s1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is DCFPREVSEMSGNV-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-7-4-14(5-8(2)16-7)10(15)6-17-11-13-12-9(3)18-11/h7-8H,4-6H2,1-3H3/t7-,8+.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 287.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 25466424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).