N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide

C15H24N4O3S — CID 86285644

IUPACN-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
SMILESCSCC[C@H](NC(C)=O)C(=O)N1CCC(c2noc(C)n2)CC1
InChIInChI=1S/C15H24N4O3S/c1-10(20)16-13(6-9-23-3)15(21)19-7-4-12(5-8-19)14-17-11(2)22-18-14/h12-13H,4-9H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyWUQCTYDCGZXXSV-ZDUSSCGKSA-N
MW340.45 g/mol
LogP1.34
Rot. Bonds6

About N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide

N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide (PubChem CID 86285644) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
PubChem CID86285644
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
SMILESCSCC[C@H](NC(C)=O)C(=O)N1CCC(c2noc(C)n2)CC1
InChIInChI=1S/C15H24N4O3S/c1-10(20)16-13(6-9-23-3)15(21)19-7-4-12(5-8-19)14-17-11(2)22-18-14/h12-13H,4-9H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyWUQCTYDCGZXXSV-ZDUSSCGKSA-N
XLogP1.34
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide (CID 86285644) is N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide is CSCC[C@H](NC(C)=O)C(=O)N1CCC(c2noc(C)n2)CC1.
What is the InChIKey of N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide?
The InChIKey is WUQCTYDCGZXXSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-10(20)16-13(6-9-23-3)15(21)19-7-4-12(5-8-19)14-17-11(2)22-18-14/h12-13H,4-9H2,1-3H3,(H,16,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide?
N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 86285644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).