1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine

C10H19N3OS — CID 63352426

IUPAC1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1nc(CSC)no1
InChIInChI=1S/C10H19N3OS/c1-4-5-11-8(2)6-10-12-9(7-15-3)13-14-10/h8,11H,4-7H2,1-3H3
InChIKeyGPFUACASSZUYGS-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.86
Rot. Bonds7

About 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine

1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine (PubChem CID 63352426) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
PubChem CID63352426
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1nc(CSC)no1
InChIInChI=1S/C10H19N3OS/c1-4-5-11-8(2)6-10-12-9(7-15-3)13-14-10/h8,11H,4-7H2,1-3H3
InChIKeyGPFUACASSZUYGS-UHFFFAOYSA-N
XLogP1.86
TPSA50.95 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65137887
1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62694731
4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348218
N-propyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 103476838
N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55201851
N-propyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348226
1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 106850007
3,3-dimethyl-1-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65136985
N-[2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethyl]propan-1-amine
CID 65130030
N-ethyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 63352343
N-ethyl-1-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 66066337
4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346150

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine?
The IUPAC name of 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine (CID 63352426) is 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine is CCCNC(C)Cc1nc(CSC)no1.
What is the InChIKey of 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine?
The InChIKey is GPFUACASSZUYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-5-11-8(2)6-10-12-9(7-15-3)13-14-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine?
1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine has a molecular weight of 229.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine is sourced from PubChem (CID 63352426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).