2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine

C8H15N3OS — CID 43249487

IUPAC2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine
SMILESCCCc1noc(CSCCN)n1
InChIInChI=1S/C8H15N3OS/c1-2-3-7-10-8(12-11-7)6-13-5-4-9/h2-6,9H2,1H3
InChIKeyQTIRECRMCFOONB-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.21
Rot. Bonds6

About 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine

2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine (PubChem CID 43249487) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine
PubChem CID43249487
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine
SMILESCCCc1noc(CSCCN)n1
InChIInChI=1S/C8H15N3OS/c1-2-3-7-10-8(12-11-7)6-13-5-4-9/h2-6,9H2,1H3
InChIKeyQTIRECRMCFOONB-UHFFFAOYSA-N
XLogP1.21
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine?
The IUPAC name of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine (CID 43249487) is 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine is CCCc1noc(CSCCN)n1.
What is the InChIKey of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine?
The InChIKey is QTIRECRMCFOONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-2-3-7-10-8(12-11-7)6-13-5-4-9/h2-6,9H2,1H3.
What are the key properties of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine?
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine has a molecular weight of 201.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine is sourced from PubChem (CID 43249487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).