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

C7H11N3O2S3 — CID 69219894

IUPAC4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCS(=O)(=O)c1nsc(N2CCSCC2)n1
InChIInChI=1S/C7H11N3O2S3/c1-15(11,12)6-8-7(14-9-6)10-2-4-13-5-3-10/h2-5H2,1H3
InChIKeyWGPDURUIUDVLET-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.49
Rot. Bonds2

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

4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 69219894) has the molecular formula C7H11N3O2S3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID69219894
Molecular FormulaC7H11N3O2S3
Molecular Weight265.38 g/mol
Exact Mass265.00
IUPAC Name4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCS(=O)(=O)c1nsc(N2CCSCC2)n1
InChIInChI=1S/C7H11N3O2S3/c1-15(11,12)6-8-7(14-9-6)10-2-4-13-5-3-10/h2-5H2,1H3
InChIKeyWGPDURUIUDVLET-UHFFFAOYSA-N
XLogP0.49
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-Methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine
CID 58792104
3-Methylsulfinyl-5-thiomorpholino-1,2,4-thiadiazole
CID 69217583
4-[3-(Methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine
CID 143035852
5-(1,1-Dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
CID 66278356
5-(1-Oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
CID 66279457
5-(3-Ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
CID 66376042
5-(3-Methylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
CID 66384638
5-(3-Methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
CID 102887535
4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 146129569

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine (CID 69219894) is 4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine is CS(=O)(=O)c1nsc(N2CCSCC2)n1.
What is the InChIKey of 4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is WGPDURUIUDVLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S3/c1-15(11,12)6-8-7(14-9-6)10-2-4-13-5-3-10/h2-5H2,1H3.
What are the key properties of 4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 265.38 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 69219894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).