1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine

C10H19N3OS — CID 79405955

IUPAC1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
SMILESCCCCc1noc(C(N)CCSC)n1
InChIInChI=1S/C10H19N3OS/c1-3-4-5-9-12-10(14-13-9)8(11)6-7-15-2/h8H,3-7,11H2,1-2H3
InChIKeyLGLZHWCSPXEWJL-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.17
Rot. Bonds7

About 1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine

1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 79405955) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
PubChem CID79405955
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
SMILESCCCCc1noc(C(N)CCSC)n1
InChIInChI=1S/C10H19N3OS/c1-3-4-5-9-12-10(14-13-9)8(11)6-7-15-2/h8H,3-7,11H2,1-2H3
InChIKeyLGLZHWCSPXEWJL-UHFFFAOYSA-N
XLogP2.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43670404
(1R)-3-methylsulfanyl-1-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909461
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 106814787
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 115345398
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
(1R)-1-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909514
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine;hydrochloride
CID 71828949
1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 43103025
(1R)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 93259654
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115345285
3-methylsulfanyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55079446

Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine (CID 79405955) is 1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine is CCCCc1noc(C(N)CCSC)n1.
What is the InChIKey of 1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is LGLZHWCSPXEWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-4-5-9-12-10(14-13-9)8(11)6-7-15-2/h8H,3-7,11H2,1-2H3.
What are the key properties of 1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine?
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 79405955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).