2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide

C11H20N4O2S — CID 933097

IUPAC2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCC[C@@H](C)[C@H](N)c1nnc(SCC(=O)N(C)C)o1
InChIInChI=1S/C11H20N4O2S/c1-5-7(2)9(12)10-13-14-11(17-10)18-6-8(16)15(3)4/h7,9H,5-6,12H2,1-4H3/t7-,9+/m1/s1
InChIKeyKSLFTHMPDLSZFP-APPZFPTMSA-N
MW272.37 g/mol
LogP1.30
Rot. Bonds6

About 2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide

2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (PubChem CID 933097) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
PubChem CID933097
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCC[C@@H](C)[C@H](N)c1nnc(SCC(=O)N(C)C)o1
InChIInChI=1S/C11H20N4O2S/c1-5-7(2)9(12)10-13-14-11(17-10)18-6-8(16)15(3)4/h7,9H,5-6,12H2,1-4H3/t7-,9+/m1/s1
InChIKeyKSLFTHMPDLSZFP-APPZFPTMSA-N
XLogP1.30
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (CID 933097) is 2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is CC[C@@H](C)[C@H](N)c1nnc(SCC(=O)N(C)C)o1.
What is the InChIKey of 2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The InChIKey is KSLFTHMPDLSZFP-APPZFPTMSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-5-7(2)9(12)10-13-14-11(17-10)18-6-8(16)15(3)4/h7,9H,5-6,12H2,1-4H3/t7-,9+/m1/s1.
What are the key properties of 2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide has a molecular weight of 272.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1S,2R)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 933097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).