3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole

C7H12N4O2S2 — CID 68532082

IUPAC3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESCS(=O)(=O)c1nsc(N2CCNCC2)n1
InChIInChI=1S/C7H12N4O2S2/c1-15(12,13)6-9-7(14-10-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeyKGRWBQQHTUCAIN-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.65
Rot. Bonds2

About 3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole

3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole (PubChem CID 68532082) has the molecular formula C7H12N4O2S2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole
PubChem CID68532082
Molecular FormulaC7H12N4O2S2
Molecular Weight248.33 g/mol
Exact Mass248.04
IUPAC Name3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESCS(=O)(=O)c1nsc(N2CCNCC2)n1
InChIInChI=1S/C7H12N4O2S2/c1-15(12,13)6-9-7(14-10-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeyKGRWBQQHTUCAIN-UHFFFAOYSA-N
XLogP-0.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(Methylsulfanyl)-1,2,4-thiadiazol-5-yl]piperazine
CID 68533754
N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
CID 66277896
5-(4-Methylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine
CID 66281005
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

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole (CID 68532082) is 3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole is CS(=O)(=O)c1nsc(N2CCNCC2)n1.
What is the InChIKey of 3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The InChIKey is KGRWBQQHTUCAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S2/c1-15(12,13)6-9-7(14-10-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3.
What are the key properties of 3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole?
3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole has a molecular weight of 248.33 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-5-piperazin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 68532082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).