(4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone

C12H19N3O2S — CID 94202934

IUPAC(4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1C[C@H](C)OC(C)(C)C1
InChIInChI=1S/C12H19N3O2S/c1-5-9-10(18-14-13-9)11(16)15-6-8(2)17-12(3,4)7-15/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyYPPLYEBCWQVPFE-QMMMGPOBSA-N
MW269.37 g/mol
LogP1.74
Rot. Bonds2

About (4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone

(4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (PubChem CID 94202934) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
PubChem CID94202934
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1C[C@H](C)OC(C)(C)C1
InChIInChI=1S/C12H19N3O2S/c1-5-9-10(18-14-13-9)11(16)15-6-8(2)17-12(3,4)7-15/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyYPPLYEBCWQVPFE-QMMMGPOBSA-N
XLogP1.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (CID 94202934) is (4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone is CCc1nnsc1C(=O)N1C[C@H](C)OC(C)(C)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The InChIKey is YPPLYEBCWQVPFE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-5-9-10(18-14-13-9)11(16)15-6-8(2)17-12(3,4)7-15/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone has a molecular weight of 269.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 94202934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).