3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole

C10H18N4O2S2 — CID 71979076

IUPAC3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(CCS(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H18N4O2S2/c1-9-11-10(17-12-9)14-5-3-13(4-6-14)7-8-18(2,15)16/h3-8H2,1-2H3
InChIKeyYENRJYHTJLEOEN-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.01
Rot. Bonds4

About 3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole

3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 71979076) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID71979076
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(CCS(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H18N4O2S2/c1-9-11-10(17-12-9)14-5-3-13(4-6-14)7-8-18(2,15)16/h3-8H2,1-2H3
InChIKeyYENRJYHTJLEOEN-UHFFFAOYSA-N
XLogP0.01
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanesulfonamide
CID 71976614
(3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 97085817
5-(4-Methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 136538526
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanesulfonamide
CID 137922015
4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1,1-dioxide
CID 146127078
(5-Thiomorpholin-4-yl-1,2,4-thiadiazol-3-yl)methanesulfinic acid
CID 68198276
4-[3-(Methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine
CID 143035852
N,N-diethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-sulfonamide
CID 56795620
3-[4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 71913831
3-Methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71924726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 71979076) is 3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole is Cc1nsc(N2CCN(CCS(C)(=O)=O)CC2)n1.
What is the InChIKey of 3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is YENRJYHTJLEOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-9-11-10(17-12-9)14-5-3-13(4-6-14)7-8-18(2,15)16/h3-8H2,1-2H3.
What are the key properties of 3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 290.41 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 71979076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).