[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

C8H15N3OS — CID 65138108

IUPAC[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)CSCc1noc(CN)n1
InChIInChI=1S/C8H15N3OS/c1-6(2)4-13-5-7-10-8(3-9)12-11-7/h6H,3-5,9H2,1-2H3
InChIKeyURZUMXDYLVEBJH-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.42
Rot. Bonds5

About [3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 65138108) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is [3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID65138108
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)CSCc1noc(CN)n1
InChIInChI=1S/C8H15N3OS/c1-6(2)4-13-5-7-10-8(3-9)12-11-7/h6H,3-5,9H2,1-2H3
InChIKeyURZUMXDYLVEBJH-UHFFFAOYSA-N
XLogP1.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(chloromethyl)-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 65137998
N-methyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65137895
5-tert-butyl-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 78850842
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanamine
CID 43249524
2,3-dimethyl-2-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65138451
2-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 113308673
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 65137037
2-amino-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 65138167
2-[1-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 65137858
3,3-dimethyl-1-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65136985
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
CID 66229905
1,1,1-trifluoro-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798413

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 65138108) is [3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is CC(C)CSCc1noc(CN)n1.
What is the InChIKey of [3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is URZUMXDYLVEBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6(2)4-13-5-7-10-8(3-9)12-11-7/h6H,3-5,9H2,1-2H3.
What are the key properties of [3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 201.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 65138108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).