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

C7H13N3OS — CID 62694731

IUPAC1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCSCc1noc(CC(C)N)n1
InChIInChI=1S/C7H13N3OS/c1-5(8)3-7-9-6(4-12-2)10-11-7/h5H,3-4,8H2,1-2H3
InChIKeyFRBPSEIAPFKHNN-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.82
Rot. Bonds4

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

1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 62694731) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID62694731
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCSCc1noc(CC(C)N)n1
InChIInChI=1S/C7H13N3OS/c1-5(8)3-7-9-6(4-12-2)10-11-7/h5H,3-4,8H2,1-2H3
InChIKeyFRBPSEIAPFKHNN-UHFFFAOYSA-N
XLogP0.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346150
1-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 66063975
1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 63352426
1,1,1-trifluoro-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63346056
N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55201851
1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62901112
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 65129726
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65133793
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
CID 119947668
(1S)-3-methyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880721
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 62694108

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 62694731) is 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CSCc1noc(CC(C)N)n1.
What is the InChIKey of 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is FRBPSEIAPFKHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5(8)3-7-9-6(4-12-2)10-11-7/h5H,3-4,8H2,1-2H3.
What are the key properties of 1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 187.27 g/mol, XLogP of 0.82, 4 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]propan-2-amine is sourced from PubChem (CID 62694731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).