2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole

C10H18N3OS+ — CID 9170798

IUPAC2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
SMILESCC(C)Sc1nnc(C2CC[NH2+]CC2)o1
InChIInChI=1S/C10H17N3OS/c1-7(2)15-10-13-12-9(14-10)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3/p+1
InChIKeyFCAYZDQJZTYOJS-UHFFFAOYSA-O
MW228.34 g/mol
LogP1.01
Rot. Bonds3

About 2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole

2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole (PubChem CID 9170798) has the molecular formula C10H18N3OS+ and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
PubChem CID9170798
Molecular FormulaC10H18N3OS+
Molecular Weight228.34 g/mol
Exact Mass228.12
IUPAC Name2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
SMILESCC(C)Sc1nnc(C2CC[NH2+]CC2)o1
InChIInChI=1S/C10H17N3OS/c1-7(2)15-10-13-12-9(14-10)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3/p+1
InChIKeyFCAYZDQJZTYOJS-UHFFFAOYSA-O
XLogP1.01
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole (CID 9170798) is 2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole is CC(C)Sc1nnc(C2CC[NH2+]CC2)o1.
What is the InChIKey of 2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole?
The InChIKey is FCAYZDQJZTYOJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)15-10-13-12-9(14-10)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3/p+1.
What are the key properties of 2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole?
2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole has a molecular weight of 228.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-4-yl-5-propan-2-ylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 9170798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).