2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine

C8H15N3O2S — CID 62582269

IUPAC2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCOCCNCCSc1nnc(C)o1
InChIInChI=1S/C8H15N3O2S/c1-7-10-11-8(13-7)14-6-4-9-3-5-12-2/h9H,3-6H2,1-2H3
InChIKeyXNGBCTYMMJUNKG-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.71
Rot. Bonds7

About 2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine

2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine (PubChem CID 62582269) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
PubChem CID62582269
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCOCCNCCSc1nnc(C)o1
InChIInChI=1S/C8H15N3O2S/c1-7-10-11-8(13-7)14-6-4-9-3-5-12-2/h9H,3-6H2,1-2H3
InChIKeyXNGBCTYMMJUNKG-UHFFFAOYSA-N
XLogP0.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The IUPAC name of 2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine (CID 62582269) is 2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine is COCCNCCSc1nnc(C)o1.
What is the InChIKey of 2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The InChIKey is XNGBCTYMMJUNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-7-10-11-8(13-7)14-6-4-9-3-5-12-2/h9H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?
2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine has a molecular weight of 217.29 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine is sourced from PubChem (CID 62582269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).