[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium

C11H21N4O2S+ — CID 2514600

IUPAC[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium
SMILESCC[C@@H](c1nnc(SCC(=O)N(C)C)o1)[NH+](C)C
InChIInChI=1S/C11H20N4O2S/c1-6-8(14(2)3)10-12-13-11(17-10)18-7-9(16)15(4)5/h8H,6-7H2,1-5H3/p+1/t8-/m0/s1
InChIKeyPZUIKDMWNYFRRF-QMMMGPOBSA-O
MW273.38 g/mol
LogP-0.15
Rot. Bonds6

About [(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium

[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium (PubChem CID 2514600) has the molecular formula C11H21N4O2S+ and a molecular weight of 273.38 g/mol. Its IUPAC name is [(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium
PubChem CID2514600
Molecular FormulaC11H21N4O2S+
Molecular Weight273.38 g/mol
Exact Mass273.14
IUPAC Name[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium
SMILESCC[C@@H](c1nnc(SCC(=O)N(C)C)o1)[NH+](C)C
InChIInChI=1S/C11H20N4O2S/c1-6-8(14(2)3)10-12-13-11(17-10)18-7-9(16)15(4)5/h8H,6-7H2,1-5H3/p+1/t8-/m0/s1
InChIKeyPZUIKDMWNYFRRF-QMMMGPOBSA-O
XLogP-0.15
TPSA63.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium?
The IUPAC name of [(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium (CID 2514600) is [(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium.
What is the SMILES notation for [(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium?
The canonical SMILES for [(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium is CC[C@@H](c1nnc(SCC(=O)N(C)C)o1)[NH+](C)C.
What is the InChIKey of [(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium?
The InChIKey is PZUIKDMWNYFRRF-QMMMGPOBSA-O. The full InChI is InChI=1S/C11H20N4O2S/c1-6-8(14(2)3)10-12-13-11(17-10)18-7-9(16)15(4)5/h8H,6-7H2,1-5H3/p+1/t8-/m0/s1.
What are the key properties of [(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium?
[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium has a molecular weight of 273.38 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]-dimethylazanium is sourced from PubChem (CID 2514600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).