1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine

C8H15N3OS — CID 3476608

IUPAC1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCCSc1nnc(C(C)N)o1
InChIInChI=1S/C8H15N3OS/c1-3-4-5-13-8-11-10-7(12-8)6(2)9/h6H,3-5,9H2,1-2H3
InChIKeyBPCAHTGTFUQBNA-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.98
Rot. Bonds5

About 1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine

1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 3476608) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID3476608
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCCSc1nnc(C(C)N)o1
InChIInChI=1S/C8H15N3OS/c1-3-4-5-13-8-11-10-7(12-8)6(2)9/h6H,3-5,9H2,1-2H3
InChIKeyBPCAHTGTFUQBNA-UHFFFAOYSA-N
XLogP1.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.98
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 1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 3476608) is 1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is CCCCSc1nnc(C(C)N)o1.
What is the InChIKey of 1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is BPCAHTGTFUQBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-3-4-5-13-8-11-10-7(12-8)6(2)9/h6H,3-5,9H2,1-2H3.
What are the key properties of 1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 201.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 3476608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).