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

C11H20N4O2S2 — CID 71924726

IUPAC3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(CCCS(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H20N4O2S2/c1-10-12-11(18-13-10)15-7-5-14(6-8-15)4-3-9-19(2,16)17/h3-9H2,1-2H3
InChIKeyHFPFSGUHJLYDAO-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.40
Rot. Bonds5

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

3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 71924726) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID71924726
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(CCCS(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H20N4O2S2/c1-10-12-11(18-13-10)15-7-5-14(6-8-15)4-3-9-19(2,16)17/h3-9H2,1-2H3
InChIKeyHFPFSGUHJLYDAO-UHFFFAOYSA-N
XLogP0.40
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.40
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
3-Methyl-5-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71979076
(3S)-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 97085817
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
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71971597
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71971599
3-Methyl-5-[4-(2-propylsulfonylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71979070
3-Ethyl-5-(4-propylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
CID 71991247

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 71924726) is 3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole is Cc1nsc(N2CCN(CCCS(C)(=O)=O)CC2)n1.
What is the InChIKey of 3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is HFPFSGUHJLYDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-10-12-11(18-13-10)15-7-5-14(6-8-15)4-3-9-19(2,16)17/h3-9H2,1-2H3.
What are the key properties of 3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 304.44 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 71924726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).