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

C10H17N3O2S2 — CID 69220520

IUPAC5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole
SMILESCC1CC(C)CN(c2nc(S(C)(=O)=O)ns2)C1
InChIInChI=1S/C10H17N3O2S2/c1-7-4-8(2)6-13(5-7)10-11-9(12-16-10)17(3,14)15/h7-8H,4-6H2,1-3H3
InChIKeyUZQGHGJNPWJBEP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.42
Rot. Bonds2

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

5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole (PubChem CID 69220520) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole
PubChem CID69220520
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole
SMILESCC1CC(C)CN(c2nc(S(C)(=O)=O)ns2)C1
InChIInChI=1S/C10H17N3O2S2/c1-7-4-8(2)6-13(5-7)10-11-9(12-16-10)17(3,14)15/h7-8H,4-6H2,1-3H3
InChIKeyUZQGHGJNPWJBEP-UHFFFAOYSA-N
XLogP1.42
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole (CID 69220520) is 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole is CC1CC(C)CN(c2nc(S(C)(=O)=O)ns2)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole?
The InChIKey is UZQGHGJNPWJBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-7-4-8(2)6-13(5-7)10-11-9(12-16-10)17(3,14)15/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole?
5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole has a molecular weight of 275.40 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole is sourced from PubChem (CID 69220520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).