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

C8H15N3OS — CID 39240460

IUPAC3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCC(C)c1nnc(SCCCN)o1
InChIInChI=1S/C8H15N3OS/c1-6(2)7-10-11-8(12-7)13-5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyYRFMALZZNJUAJT-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.63
Rot. Bonds5

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

3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 39240460) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID39240460
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCC(C)c1nnc(SCCCN)o1
InChIInChI=1S/C8H15N3OS/c1-6(2)7-10-11-8(12-7)13-5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKeyYRFMALZZNJUAJT-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine (CID 39240460) is 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine is CC(C)c1nnc(SCCCN)o1.
What is the InChIKey of 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is YRFMALZZNJUAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6(2)7-10-11-8(12-7)13-5-3-4-9/h6H,3-5,9H2,1-2H3.
What are the key properties of 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 201.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 39240460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).