[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone

C9H13N3O2S — CID 94200535

IUPAC[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cnsn2)[C@@H](C)CO1
InChIInChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyIKMQGCCZPWFVJE-NKWVEPMBSA-N
MW227.29 g/mol
LogP0.79
Rot. Bonds1

About [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone

[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 94200535) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID94200535
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cnsn2)[C@@H](C)CO1
InChIInChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyIKMQGCCZPWFVJE-NKWVEPMBSA-N
XLogP0.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(1,2,5-thiadiazol-3-ylcarbonyl)-1-piperazinecarboxylate
CID 900727
2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone
CID 47353352
1-Cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
CID 71924820
N-ethyl-N-(2-morpholin-4-ylethyl)-1H-1,2,3-triazole-5-carboxamide
CID 74241678
2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone
CID 164643088
2,5-Dimethyl-4-(1,2,5-thiadiazole-3-carbonyl)morpholine
CID 47351602
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 94200533
N-(2-methoxyethyl)-1,2,5-thiadiazole-3-carboxamide
CID 1578973
[4-(2-Hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 43522596
(4-Hydroxypiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 43522597
(3-Hydroxypiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 43522598
N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 43573812

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 94200535) is [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone is C[C@@H]1CN(C(=O)c2cnsn2)[C@@H](C)CO1.
What is the InChIKey of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is IKMQGCCZPWFVJE-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 227.29 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 94200535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).