5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

C16H22N4O3S2 — CID 36807211

IUPAC5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)n1
InChIInChI=1S/C16H22N4O3S2/c1-2-6-14-18-15(23-19-14)12-24-16-8-7-13(11-17-16)25(21,22)20-9-4-3-5-10-20/h7-8,11H,2-6,9-10,12H2,1H3
InChIKeyASIIORAFPWNOAA-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.88
Rot. Bonds7

About 5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 36807211) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID36807211
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)n1
InChIInChI=1S/C16H22N4O3S2/c1-2-6-14-18-15(23-19-14)12-24-16-8-7-13(11-17-16)25(21,22)20-9-4-3-5-10-20/h7-8,11H,2-6,9-10,12H2,1H3
InChIKeyASIIORAFPWNOAA-UHFFFAOYSA-N
XLogP2.88
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 24649677
2-ethyl-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 18130725
5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 17469667
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
2-[(4-methylsulfanylphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7561735
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 16571041
2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 60561377
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7593941
2-(2-chlorophenyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 33464198
N-[(2R)-pentan-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779660
4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole
CID 46815210

Frequently Asked Questions

What is the IUPAC name of 5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (CID 36807211) is 5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)n1.
What is the InChIKey of 5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is ASIIORAFPWNOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-2-6-14-18-15(23-19-14)12-24-16-8-7-13(11-17-16)25(21,22)20-9-4-3-5-10-20/h7-8,11H,2-6,9-10,12H2,1H3.
What are the key properties of 5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 382.51 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 36807211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).