N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C14H25N4O2S+ — CID 9374378

IUPACN-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nnc(C[NH+]2CCCCC2)o1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)15-11(19)10-21-13-17-16-12(20-13)9-18-7-5-4-6-8-18/h4-10H2,1-3H3,(H,15,19)/p+1
InChIKeyLYKJTQNBEOPRKI-UHFFFAOYSA-O
MW313.45 g/mol
LogP0.65
Rot. Bonds5

About N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 9374378) has the molecular formula C14H25N4O2S+ and a molecular weight of 313.45 g/mol. Its IUPAC name is N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID9374378
Molecular FormulaC14H25N4O2S+
Molecular Weight313.45 g/mol
Exact Mass313.17
IUPAC NameN-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nnc(C[NH+]2CCCCC2)o1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)15-11(19)10-21-13-17-16-12(20-13)9-18-7-5-4-6-8-18/h4-10H2,1-3H3,(H,15,19)/p+1
InChIKeyLYKJTQNBEOPRKI-UHFFFAOYSA-O
XLogP0.65
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 9465184
N-(furan-2-ylmethylcarbamoyl)-2-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9465218
(2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9374399
2-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 9114070
N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 4683481
(2S)-N-(2-methoxyethyl)-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9374472
N-cyclohexyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4288335
N-tert-butyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1173001
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 102629895
N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 46266290
N-tert-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 858948
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylbutan-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 9374378) is N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CC(C)(C)NC(=O)CSc1nnc(C[NH+]2CCCCC2)o1.
What is the InChIKey of N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is LYKJTQNBEOPRKI-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H24N4O2S/c1-14(2,3)15-11(19)10-21-13-17-16-12(20-13)9-18-7-5-4-6-8-18/h4-10H2,1-3H3,(H,15,19)/p+1.
What are the key properties of N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 313.45 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 9374378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).