4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine

C7H11N3OS3 — CID 71100367

IUPAC4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine
SMILESOSCc1nsc(N2CCSCC2)n1
InChIInChI=1S/C7H11N3OS3/c11-13-5-6-8-7(14-9-6)10-1-3-12-4-2-10/h11H,1-5H2
InChIKeyBVVRTCOGXWJFLZ-UHFFFAOYSA-N
MW249.39 g/mol
LogP1.80
Rot. Bonds3

About 4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine

4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine (PubChem CID 71100367) has the molecular formula C7H11N3OS3 and a molecular weight of 249.39 g/mol. Its IUPAC name is 4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine.

Molecular Properties

Compound Name4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine
PubChem CID71100367
Molecular FormulaC7H11N3OS3
Molecular Weight249.39 g/mol
Exact Mass249.01
IUPAC Name4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine
SMILESOSCc1nsc(N2CCSCC2)n1
InChIInChI=1S/C7H11N3OS3/c11-13-5-6-8-7(14-9-6)10-1-3-12-4-2-10/h11H,1-5H2
InChIKeyBVVRTCOGXWJFLZ-UHFFFAOYSA-N
XLogP1.80
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
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-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine?
The IUPAC name of 4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine (CID 71100367) is 4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine.
What is the SMILES notation for 4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine?
The canonical SMILES for 4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine is OSCc1nsc(N2CCSCC2)n1.
What is the InChIKey of 4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine?
The InChIKey is BVVRTCOGXWJFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS3/c11-13-5-6-8-7(14-9-6)10-1-3-12-4-2-10/h11H,1-5H2.
What are the key properties of 4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine?
4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine has a molecular weight of 249.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine is sourced from PubChem (CID 71100367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).