3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine

C10H19N3OS — CID 66220061

IUPAC3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine
SMILESCC(C)(C)c1nnc(CSCCCN)o1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)9-13-12-8(14-9)7-15-6-4-5-11/h4-7,11H2,1-3H3
InChIKeyUJANVWSNTGAGRT-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.95
Rot. Bonds5

About 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine

3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine (PubChem CID 66220061) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine
PubChem CID66220061
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine
SMILESCC(C)(C)c1nnc(CSCCCN)o1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)9-13-12-8(14-9)7-15-6-4-5-11/h4-7,11H2,1-3H3
InChIKeyUJANVWSNTGAGRT-UHFFFAOYSA-N
XLogP1.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.95
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 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine?
The IUPAC name of 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine (CID 66220061) is 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine is CC(C)(C)c1nnc(CSCCCN)o1.
What is the InChIKey of 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine?
The InChIKey is UJANVWSNTGAGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-10(2,3)9-13-12-8(14-9)7-15-6-4-5-11/h4-7,11H2,1-3H3.
What are the key properties of 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine?
3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66220061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).