3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine

C9H17N3OS — CID 43670404

IUPAC3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCCCc1noc(C(N)CCSC)n1
InChIInChI=1S/C9H17N3OS/c1-3-4-8-11-9(13-12-8)7(10)5-6-14-2/h7H,3-6,10H2,1-2H3
InChIKeyHJGKKEAEWAIFBV-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.77
Rot. Bonds6

About 3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine

3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 43670404) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID43670404
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCCCc1noc(C(N)CCSC)n1
InChIInChI=1S/C9H17N3OS/c1-3-4-8-11-9(13-12-8)7(10)5-6-14-2/h7H,3-6,10H2,1-2H3
InChIKeyHJGKKEAEWAIFBV-UHFFFAOYSA-N
XLogP1.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 79405955
(1R)-3-methylsulfanyl-1-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909461
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
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
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
(1R)-1-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909468
3-methylsulfanyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55079446
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 43670404) is 3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine is CCCc1noc(C(N)CCSC)n1.
What is the InChIKey of 3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is HJGKKEAEWAIFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-4-8-11-9(13-12-8)7(10)5-6-14-2/h7H,3-6,10H2,1-2H3.
What are the key properties of 3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 43670404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).