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

C10H17N3OS2 — CID 69217516

IUPAC5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole
SMILESCC1CC(C)CN(c2nc(S(C)=O)ns2)C1
InChIInChI=1S/C10H17N3OS2/c1-7-4-8(2)6-13(5-7)10-11-9(12-15-10)16(3)14/h7-8H,4-6H2,1-3H3
InChIKeyBNEHFFQEZYJKJE-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.76
Rot. Bonds2

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

5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole (PubChem CID 69217516) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole
PubChem CID69217516
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole
SMILESCC1CC(C)CN(c2nc(S(C)=O)ns2)C1
InChIInChI=1S/C10H17N3OS2/c1-7-4-8(2)6-13(5-7)10-11-9(12-15-10)16(3)14/h7-8H,4-6H2,1-3H3
InChIKeyBNEHFFQEZYJKJE-UHFFFAOYSA-N
XLogP1.76
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole (CID 69217516) is 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole is CC1CC(C)CN(c2nc(S(C)=O)ns2)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole?
The InChIKey is BNEHFFQEZYJKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-7-4-8(2)6-13(5-7)10-11-9(12-15-10)16(3)14/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole?
5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole has a molecular weight of 259.40 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole is sourced from PubChem (CID 69217516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).