dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium

C11H21N4O2S+ — CID 9377617

IUPACdimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
SMILESCCCNC(=O)[C@@H](C)Sc1nnc(C[NH+](C)C)o1
InChIInChI=1S/C11H20N4O2S/c1-5-6-12-10(16)8(2)18-11-14-13-9(17-11)7-15(3)4/h8H,5-7H2,1-4H3,(H,12,16)/p+1/t8-/m1/s1
InChIKeyPZOARSHBQRNKGM-MRVPVSSYSA-O
MW273.38 g/mol
LogP-0.28
Rot. Bonds7

About dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium

dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium (PubChem CID 9377617) has the molecular formula C11H21N4O2S+ and a molecular weight of 273.38 g/mol. Its IUPAC name is dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium.

Molecular Properties

Compound Namedimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
PubChem CID9377617
Molecular FormulaC11H21N4O2S+
Molecular Weight273.38 g/mol
Exact Mass273.14
IUPAC Namedimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
SMILESCCCNC(=O)[C@@H](C)Sc1nnc(C[NH+](C)C)o1
InChIInChI=1S/C11H20N4O2S/c1-5-6-12-10(16)8(2)18-11-14-13-9(17-11)7-15(3)4/h8H,5-7H2,1-4H3,(H,12,16)/p+1/t8-/m1/s1
InChIKeyPZOARSHBQRNKGM-MRVPVSSYSA-O
XLogP-0.28
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium with MolForge

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Related Compounds

dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
CID 9377509
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 47119494
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-ynylpropanamide
CID 102630049
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylpropanamide
CID 102630165
(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 9484229
(2R)-2-[[5-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
CID 9379407
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide
CID 26733168
(2S)-N-(2-methoxyethyl)-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9374472
(2S)-N-ethyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8600832
(2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide
CID 9373792
(2S)-2-[[5-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)propanamide
CID 9379423

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium?
The IUPAC name of dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium (CID 9377617) is dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium.
What is the SMILES notation for dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium?
The canonical SMILES for dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium is CCCNC(=O)[C@@H](C)Sc1nnc(C[NH+](C)C)o1.
What is the InChIKey of dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium?
The InChIKey is PZOARSHBQRNKGM-MRVPVSSYSA-O. The full InChI is InChI=1S/C11H20N4O2S/c1-5-6-12-10(16)8(2)18-11-14-13-9(17-11)7-15(3)4/h8H,5-7H2,1-4H3,(H,12,16)/p+1/t8-/m1/s1.
What are the key properties of dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium?
dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium has a molecular weight of 273.38 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium is sourced from PubChem (CID 9377617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).