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

C12H21N3OS2 — CID 69217026

IUPAC5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole
SMILESCCC1CC(CC)CN(c2nc(S(C)=O)ns2)C1
InChIInChI=1S/C12H21N3OS2/c1-4-9-6-10(5-2)8-15(7-9)12-13-11(14-17-12)18(3)16/h9-10H,4-8H2,1-3H3
InChIKeyYQHBSOYBXPXIPN-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.54
Rot. Bonds4

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

5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole (PubChem CID 69217026) has the molecular formula C12H21N3OS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole
PubChem CID69217026
Molecular FormulaC12H21N3OS2
Molecular Weight287.45 g/mol
Exact Mass287.11
IUPAC Name5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole
SMILESCCC1CC(CC)CN(c2nc(S(C)=O)ns2)C1
InChIInChI=1S/C12H21N3OS2/c1-4-9-6-10(5-2)8-15(7-9)12-13-11(14-17-12)18(3)16/h9-10H,4-8H2,1-3H3
InChIKeyYQHBSOYBXPXIPN-UHFFFAOYSA-N
XLogP2.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole (CID 69217026) is 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole is CCC1CC(CC)CN(c2nc(S(C)=O)ns2)C1.
What is the InChIKey of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole?
The InChIKey is YQHBSOYBXPXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS2/c1-4-9-6-10(5-2)8-15(7-9)12-13-11(14-17-12)18(3)16/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole?
5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole has a molecular weight of 287.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole is sourced from PubChem (CID 69217026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).