5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole

C12H21N3O2S2 — CID 69216943

IUPAC5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole
SMILESCCC1CC(CC)CN(c2nc(S(C)(=O)=O)ns2)C1
InChIInChI=1S/C12H21N3O2S2/c1-4-9-6-10(5-2)8-15(7-9)12-13-11(14-18-12)19(3,16)17/h9-10H,4-8H2,1-3H3
InChIKeyXQGUKHFFLRORAH-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.20
Rot. Bonds4

About 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole

5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole (PubChem CID 69216943) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole
PubChem CID69216943
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole
SMILESCCC1CC(CC)CN(c2nc(S(C)(=O)=O)ns2)C1
InChIInChI=1S/C12H21N3O2S2/c1-4-9-6-10(5-2)8-15(7-9)12-13-11(14-18-12)19(3,16)17/h9-10H,4-8H2,1-3H3
InChIKeyXQGUKHFFLRORAH-UHFFFAOYSA-N
XLogP2.20
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole (CID 69216943) is 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole is CCC1CC(CC)CN(c2nc(S(C)(=O)=O)ns2)C1.
What is the InChIKey of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole?
The InChIKey is XQGUKHFFLRORAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-4-9-6-10(5-2)8-15(7-9)12-13-11(14-18-12)19(3,16)17/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole?
5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole has a molecular weight of 303.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole is sourced from PubChem (CID 69216943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).