3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole

C13H23N5O2S2 — CID 56795622

IUPAC3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(S(=O)(=O)N3CCCC(C)C3)CC2)n1
InChIInChI=1S/C13H23N5O2S2/c1-11-4-3-5-18(10-11)22(19,20)17-8-6-16(7-9-17)13-14-12(2)15-21-13/h11H,3-10H2,1-2H3
InChIKeyGGCUBEKFZISMEB-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.95
Rot. Bonds3

About 3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole

3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 56795622) has the molecular formula C13H23N5O2S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
PubChem CID56795622
Molecular FormulaC13H23N5O2S2
Molecular Weight345.49 g/mol
Exact Mass345.13
IUPAC Name3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(S(=O)(=O)N3CCCC(C)C3)CC2)n1
InChIInChI=1S/C13H23N5O2S2/c1-11-4-3-5-18(10-11)22(19,20)17-8-6-16(7-9-17)13-14-12(2)15-21-13/h11H,3-10H2,1-2H3
InChIKeyGGCUBEKFZISMEB-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole (CID 56795622) is 3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole is Cc1nsc(N2CCN(S(=O)(=O)N3CCCC(C)C3)CC2)n1.
What is the InChIKey of 3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is GGCUBEKFZISMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S2/c1-11-4-3-5-18(10-11)22(19,20)17-8-6-16(7-9-17)13-14-12(2)15-21-13/h11H,3-10H2,1-2H3.
What are the key properties of 3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 345.49 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 56795622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).