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

C9H13N3O2S — CID 94200534

IUPAC[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESC[C@@H]1CO[C@@H](C)CN1C(=O)c1cnsn1
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+/m1/s1
InChIKeyIKMQGCCZPWFVJE-RQJHMYQMSA-N
MW227.29 g/mol
LogP0.79
Rot. Bonds1

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

[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 94200534) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID94200534
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESC[C@@H]1CO[C@@H](C)CN1C(=O)c1cnsn1
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+/m1/s1
InChIKeyIKMQGCCZPWFVJE-RQJHMYQMSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 94200534) is [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone is C[C@@H]1CO[C@@H](C)CN1C(=O)c1cnsn1.
What is the InChIKey of [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is IKMQGCCZPWFVJE-RQJHMYQMSA-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+/m1/s1.
What are the key properties of [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[(2S,5R)-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 [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 94200534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).