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

C6H11N3OS — CID 39236448

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCc1nnc(SCCCN)o1
InChIInChI=1S/C6H11N3OS/c1-5-8-9-6(10-5)11-4-2-3-7/h2-4,7H2,1H3
InChIKeyAYIWXJXKKHGEGN-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.82
Rot. Bonds4

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

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 39236448) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID39236448
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCc1nnc(SCCCN)o1
InChIInChI=1S/C6H11N3OS/c1-5-8-9-6(10-5)11-4-2-3-7/h2-4,7H2,1H3
InChIKeyAYIWXJXKKHGEGN-UHFFFAOYSA-N
XLogP0.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.82
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-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine (CID 39236448) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine is Cc1nnc(SCCCN)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is AYIWXJXKKHGEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-5-8-9-6(10-5)11-4-2-3-7/h2-4,7H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 173.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 39236448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).