2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine

C6H11N3OS — CID 66217863

IUPAC2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine
SMILESCC(CN)SCc1ncno1
InChIInChI=1S/C6H11N3OS/c1-5(2-7)11-3-6-8-4-9-10-6/h4-5H,2-3,7H2,1H3
InChIKeyDYUUCYUEIDBMDW-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.65
Rot. Bonds4

About 2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine

2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine (PubChem CID 66217863) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine
PubChem CID66217863
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine
SMILESCC(CN)SCc1ncno1
InChIInChI=1S/C6H11N3OS/c1-5(2-7)11-3-6-8-4-9-10-6/h4-5H,2-3,7H2,1H3
InChIKeyDYUUCYUEIDBMDW-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine?
The IUPAC name of 2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine (CID 66217863) is 2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine is CC(CN)SCc1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine?
The InChIKey is DYUUCYUEIDBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-5(2-7)11-3-6-8-4-9-10-6/h4-5H,2-3,7H2,1H3.
What are the key properties of 2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine?
2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine has a molecular weight of 173.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine is sourced from PubChem (CID 66217863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).