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

C8H13N3O2S3 — CID 143035852

IUPAC4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine
SMILESCS(=O)(=O)Cc1nsc(N2CCSCC2)n1
InChIInChI=1S/C8H13N3O2S3/c1-16(12,13)6-7-9-8(15-10-7)11-2-4-14-5-3-11/h2-6H2,1H3
InChIKeyFPQPDUOOBSHPML-UHFFFAOYSA-N
MW279.41 g/mol
LogP0.64
Rot. Bonds3

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

4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine (PubChem CID 143035852) has the molecular formula C8H13N3O2S3 and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine.

Molecular Properties

Compound Name4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine
PubChem CID143035852
Molecular FormulaC8H13N3O2S3
Molecular Weight279.41 g/mol
Exact Mass279.02
IUPAC Name4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine
SMILESCS(=O)(=O)Cc1nsc(N2CCSCC2)n1
InChIInChI=1S/C8H13N3O2S3/c1-16(12,13)6-7-9-8(15-10-7)11-2-4-14-5-3-11/h2-6H2,1H3
InChIKeyFPQPDUOOBSHPML-UHFFFAOYSA-N
XLogP0.64
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71858346
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71858349
2,2-Dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71854939
4-(3-Ethyl-1,2,4-thiadiazol-5-YL)thiomorpholine
CID 71925334
3-Methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71979076
4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide
CID 146127078
5-(Ethylsulfonylmethyl)-3-methyl-1,2,4-thiadiazole
CID 21031012
1-[2-[[5-(Diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-1-methyl-2-methylsulfonylguanidine
CID 56995267
4-(3-Methyl-1,2,4-thiadiazol-5-yl)thiomorpholine
CID 58792113
(5-Thiomorpholin-4-yl-1,2,4-thiadiazol-3-yl)methanesulfinic acid
CID 68198276
3-Methylsulfonyl-5-thiomorpholino-1,2,4-thiadiazole
CID 69219894
3-Methyl-5-(methylsulfonylmethyl)-1,2,4-thiadiazole
CID 69436140

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine?
The IUPAC name of 4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine (CID 143035852) is 4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine.
What is the SMILES notation for 4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine?
The canonical SMILES for 4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine is CS(=O)(=O)Cc1nsc(N2CCSCC2)n1.
What is the InChIKey of 4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine?
The InChIKey is FPQPDUOOBSHPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S3/c1-16(12,13)6-7-9-8(15-10-7)11-2-4-14-5-3-11/h2-6H2,1H3.
What are the key properties of 4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine?
4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine has a molecular weight of 279.41 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine is sourced from PubChem (CID 143035852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).