N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C10H17N3O2S — CID 9373847

IUPACN-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N[C@@H](C)C(C)C)o1
InChIInChI=1S/C10H17N3O2S/c1-6(2)7(3)11-9(14)5-16-10-13-12-8(4)15-10/h6-7H,5H2,1-4H3,(H,11,14)/t7-/m0/s1
InChIKeyQANVEPSHCDTEPL-ZETCQYMHSA-N
MW243.33 g/mol
LogP1.63
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 9373847) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID9373847
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N[C@@H](C)C(C)C)o1
InChIInChI=1S/C10H17N3O2S/c1-6(2)7(3)11-9(14)5-16-10-13-12-8(4)15-10/h6-7H,5H2,1-4H3,(H,11,14)/t7-/m0/s1
InChIKeyQANVEPSHCDTEPL-ZETCQYMHSA-N
XLogP1.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 9373847) is N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)N[C@@H](C)C(C)C)o1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is QANVEPSHCDTEPL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(2)7(3)11-9(14)5-16-10-13-12-8(4)15-10/h6-7H,5H2,1-4H3,(H,11,14)/t7-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 243.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9373847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).