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

C10H17N3OS2 — CID 58792103

IUPAC5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole
SMILESCSOc1nsc(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C10H17N3OS2/c1-7-4-8(2)6-13(5-7)10-11-9(12-16-10)14-15-3/h7-8H,4-6H2,1-3H3
InChIKeyRIIVJEQYWZJXET-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.68
Rot. Bonds3

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

5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole (PubChem CID 58792103) 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-methylsulfanyloxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole
PubChem CID58792103
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole
SMILESCSOc1nsc(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C10H17N3OS2/c1-7-4-8(2)6-13(5-7)10-11-9(12-16-10)14-15-3/h7-8H,4-6H2,1-3H3
InChIKeyRIIVJEQYWZJXET-UHFFFAOYSA-N
XLogP2.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methylthio-5-(3-trifluoromethylpiperidino)-1,2,4-thiadiazole
CID 58792132
N,N-dibutyl-5-piperidin-1-yl-1,2,4-thiadiazol-3-amine
CID 321849
3-Chloro-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 40516186
5-(3-Methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
CID 58792100
3-Methylthio-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole
CID 58792110
3-(2-Propynyloxy)-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole
CID 58792115
3-But-2-ynoxy-5-(3-methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 58792119
5-(3,5-Dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
CID 58792124
3-But-2-ynoxy-5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole
CID 58792126
5-(3,5-Diethylpiperidin-1-yl)-3-methylsulfonyl-1,2,4-thiadiazole
CID 69216943
5-(3,5-Diethylpiperidin-1-yl)-3-methylsulfinyl-1,2,4-thiadiazole
CID 69217026
3-Methylsulfinyl-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole
CID 69217516

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole (CID 58792103) is 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole is CSOc1nsc(N2CC(C)CC(C)C2)n1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole?
The InChIKey is RIIVJEQYWZJXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-7-4-8(2)6-13(5-7)10-11-9(12-16-10)14-15-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole?
5-(3,5-dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole has a molecular weight of 259.40 g/mol, XLogP of 2.68, 3 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-methylsulfanyloxy-1,2,4-thiadiazole is sourced from PubChem (CID 58792103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).