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

C10H19N3OS — CID 66228488

IUPAC1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
SMILESCCCc1nc(CSCC(N)CC)no1
InChIInChI=1S/C10H19N3OS/c1-3-5-10-12-9(13-14-10)7-15-6-8(11)4-2/h8H,3-7,11H2,1-2H3
InChIKeyLPNBNEFMWGQCSB-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.99
Rot. Bonds7

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

1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine (PubChem CID 66228488) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine.

Molecular Properties

Compound Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
PubChem CID66228488
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
SMILESCCCc1nc(CSCC(N)CC)no1
InChIInChI=1S/C10H19N3OS/c1-3-5-10-12-9(13-14-10)7-15-6-8(11)4-2/h8H,3-7,11H2,1-2H3
InChIKeyLPNBNEFMWGQCSB-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
CID 66229905
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65137889
(2S)-2-amino-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic acid
CID 107773128
[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
N-methyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65137895
4,4-dimethyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65130040
3,3-dimethyl-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65284905
(2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 61142370
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
CID 66218376
5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65129672

Frequently Asked Questions

What is the IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine?
The IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine (CID 66228488) is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine.
What is the SMILES notation for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine?
The canonical SMILES for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine is CCCc1nc(CSCC(N)CC)no1.
What is the InChIKey of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine?
The InChIKey is LPNBNEFMWGQCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-5-10-12-9(13-14-10)7-15-6-8(11)4-2/h8H,3-7,11H2,1-2H3.
What are the key properties of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine?
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine has a molecular weight of 229.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine is sourced from PubChem (CID 66228488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).