4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine

C7H11N3OS3 — CID 58792104

IUPAC4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCSOc1nsc(N2CCSCC2)n1
InChIInChI=1S/C7H11N3OS3/c1-12-11-6-8-7(14-9-6)10-2-4-13-5-3-10/h2-5H2,1H3
InChIKeyFCOCUAPZNOXHDS-UHFFFAOYSA-N
MW249.39 g/mol
LogP1.75
Rot. Bonds3

About 4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine

4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 58792104) has the molecular formula C7H11N3OS3 and a molecular weight of 249.39 g/mol. Its IUPAC name is 4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID58792104
Molecular FormulaC7H11N3OS3
Molecular Weight249.39 g/mol
Exact Mass249.01
IUPAC Name4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCSOc1nsc(N2CCSCC2)n1
InChIInChI=1S/C7H11N3OS3/c1-12-11-6-8-7(14-9-6)10-2-4-13-5-3-10/h2-5H2,1H3
InChIKeyFCOCUAPZNOXHDS-UHFFFAOYSA-N
XLogP1.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine (CID 58792104) is 4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine is CSOc1nsc(N2CCSCC2)n1.
What is the InChIKey of 4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is FCOCUAPZNOXHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS3/c1-12-11-6-8-7(14-9-6)10-2-4-13-5-3-10/h2-5H2,1H3.
What are the key properties of 4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine?
4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 249.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 58792104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).