3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine

C7H13N3OS — CID 39237966

IUPAC3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCCc1nnc(SCCCN)o1
InChIInChI=1S/C7H13N3OS/c1-2-6-9-10-7(11-6)12-5-3-4-8/h2-5,8H2,1H3
InChIKeyXXRSMFCHLWOACI-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.07
Rot. Bonds5

About 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine

3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 39237966) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID39237966
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCCc1nnc(SCCCN)o1
InChIInChI=1S/C7H13N3OS/c1-2-6-9-10-7(11-6)12-5-3-4-8/h2-5,8H2,1H3
InChIKeyXXRSMFCHLWOACI-UHFFFAOYSA-N
XLogP1.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.07
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-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine (CID 39237966) is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine is CCc1nnc(SCCCN)o1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is XXRSMFCHLWOACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-2-6-9-10-7(11-6)12-5-3-4-8/h2-5,8H2,1H3.
What are the key properties of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 187.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 39237966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).