5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C11H21N3OS — CID 65129672

IUPAC5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCSCc1noc(CCCCCN)n1
InChIInChI=1S/C11H21N3OS/c1-2-8-16-9-10-13-11(15-14-10)6-4-3-5-7-12/h2-9,12H2,1H3
InChIKeyVOYLDPFFZBCMTM-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.38
Rot. Bonds9

About 5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 65129672) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID65129672
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCSCc1noc(CCCCCN)n1
InChIInChI=1S/C11H21N3OS/c1-2-8-16-9-10-13-11(15-14-10)6-4-3-5-7-12/h2-9,12H2,1H3
InChIKeyVOYLDPFFZBCMTM-UHFFFAOYSA-N
XLogP2.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.38
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 5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 65129672) is 5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCSCc1noc(CCCCCN)n1.
What is the InChIKey of 5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is VOYLDPFFZBCMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-2-8-16-9-10-13-11(15-14-10)6-4-3-5-7-12/h2-9,12H2,1H3.
What are the key properties of 5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 243.38 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 65129672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).