dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium

C9H17N4O2S+ — CID 9377509

IUPACdimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
SMILESCNC(=O)[C@@H](C)Sc1nnc(C[NH+](C)C)o1
InChIInChI=1S/C9H16N4O2S/c1-6(8(14)10-2)16-9-12-11-7(15-9)5-13(3)4/h6H,5H2,1-4H3,(H,10,14)/p+1/t6-/m1/s1
InChIKeyYOQAPCIIXKRDQS-ZCFIWIBFSA-O
MW245.33 g/mol
LogP-1.06
Rot. Bonds5

About dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium

dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium (PubChem CID 9377509) has the molecular formula C9H17N4O2S+ and a molecular weight of 245.33 g/mol. Its IUPAC name is dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium.

Molecular Properties

Compound Namedimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
PubChem CID9377509
Molecular FormulaC9H17N4O2S+
Molecular Weight245.33 g/mol
Exact Mass245.11
IUPAC Namedimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
SMILESCNC(=O)[C@@H](C)Sc1nnc(C[NH+](C)C)o1
InChIInChI=1S/C9H16N4O2S/c1-6(8(14)10-2)16-9-12-11-7(15-9)5-13(3)4/h6H,5H2,1-4H3,(H,10,14)/p+1/t6-/m1/s1
InChIKeyYOQAPCIIXKRDQS-ZCFIWIBFSA-O
XLogP-1.06
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
CID 9377617
N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 75649599
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylpropanamide
CID 102630165
(2R)-2-[[5-[(3S)-1,1-dioxothiolan-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylpropanamide
CID 9389209
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-ynylpropanamide
CID 102630049
(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 9484229
(2S)-N-cyclopropyl-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9374399
(2R)-N-cyclopropyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7810568
(3S)-3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one
CID 95591919
(2S)-N-cyclopropyl-2-[[5-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9379373
2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 47132288
(2S)-N,N-dimethyl-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 95168572

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium?
The IUPAC name of dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium (CID 9377509) is dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium.
What is the SMILES notation for dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium?
The canonical SMILES for dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium is CNC(=O)[C@@H](C)Sc1nnc(C[NH+](C)C)o1.
What is the InChIKey of dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium?
The InChIKey is YOQAPCIIXKRDQS-ZCFIWIBFSA-O. The full InChI is InChI=1S/C9H16N4O2S/c1-6(8(14)10-2)16-9-12-11-7(15-9)5-13(3)4/h6H,5H2,1-4H3,(H,10,14)/p+1/t6-/m1/s1.
What are the key properties of dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium?
dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium has a molecular weight of 245.33 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[5-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium is sourced from PubChem (CID 9377509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).