1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine

C9H17N3OS — CID 66229905

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
SMILESCCc1nc(CSCC(N)CC)no1
InChIInChI=1S/C9H17N3OS/c1-3-7(10)5-14-6-8-11-9(4-2)13-12-8/h7H,3-6,10H2,1-2H3
InChIKeyTUACHEHFHJVHSD-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.60
Rot. Bonds6

About 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine (PubChem CID 66229905) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
PubChem CID66229905
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
SMILESCCc1nc(CSCC(N)CC)no1
InChIInChI=1S/C9H17N3OS/c1-3-7(10)5-14-6-8-11-9(4-2)13-12-8/h7H,3-6,10H2,1-2H3
InChIKeyTUACHEHFHJVHSD-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
CID 66228488
(2S)-2-amino-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic acid
CID 107773128
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-1-amine
CID 66220275
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65137889
[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65138108
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 65129726
(2S)-2-amino-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 107773398
5-(chloromethyl)-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 65137998
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-amine
CID 66231056
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-amine
CID 66229386
(1S)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881157
[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 65129843

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine (CID 66229905) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine is CCc1nc(CSCC(N)CC)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine?
The InChIKey is TUACHEHFHJVHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-7(10)5-14-6-8-11-9(4-2)13-12-8/h7H,3-6,10H2,1-2H3.
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine has a molecular weight of 215.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine is sourced from PubChem (CID 66229905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).