N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

C11H18N4O2S — CID 106396639

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1nc(CNC(=O)CSC2CCNCC2)no1
InChIInChI=1S/C11H18N4O2S/c1-8-14-10(15-17-8)6-13-11(16)7-18-9-2-4-12-5-3-9/h9,12H,2-7H2,1H3,(H,13,16)
InChIKeyCDWKGDULAPJFLY-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.48
Rot. Bonds5

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 106396639) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID106396639
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1nc(CNC(=O)CSC2CCNCC2)no1
InChIInChI=1S/C11H18N4O2S/c1-8-14-10(15-17-8)6-13-11(16)7-18-9-2-4-12-5-3-9/h9,12H,2-7H2,1H3,(H,13,16)
InChIKeyCDWKGDULAPJFLY-UHFFFAOYSA-N
XLogP0.48
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627772
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 103811687
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 106402516
N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627831
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626456
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 103811683
4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
CID 113266923
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
1-(3-ethylsulfanylcyclopentyl)-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75379207
1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97223816

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (CID 106396639) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is Cc1nc(CNC(=O)CSC2CCNCC2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is CDWKGDULAPJFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8-14-10(15-17-8)6-13-11(16)7-18-9-2-4-12-5-3-9/h9,12H,2-7H2,1H3,(H,13,16).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 270.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 106396639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).