(1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine

C12H23N3O2S — CID 104909630

IUPAC(1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
SMILESCOC(c1noc([C@H](N)CCSC)n1)C(C)(C)C
InChIInChI=1S/C12H23N3O2S/c1-12(2,3)9(16-4)10-14-11(17-15-10)8(13)6-7-18-5/h8-9H,6-7,13H2,1-5H3/t8-,9?/m1/s1
InChIKeyLDHGVUVNPNYIFL-VEDVMXKPSA-N
MW273.40 g/mol
LogP2.56
Rot. Bonds6

About (1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine

(1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine (PubChem CID 104909630) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is (1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
PubChem CID104909630
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name(1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
SMILESCOC(c1noc([C@H](N)CCSC)n1)C(C)(C)C
InChIInChI=1S/C12H23N3O2S/c1-12(2,3)9(16-4)10-14-11(17-15-10)8(13)6-7-18-5/h8-9H,6-7,13H2,1-5H3/t8-,9?/m1/s1
InChIKeyLDHGVUVNPNYIFL-VEDVMXKPSA-N
XLogP2.56
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine with MolForge

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Related Compounds

(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565578
(1R)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909625
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 64539630
1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine;hydrochloride
CID 71828949
(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909639
3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43670404
(1R)-1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909629
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 116704120
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 79405955
[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 116704110
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 106814787
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 116742099

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of (1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine (CID 104909630) is (1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine is COC(c1noc([C@H](N)CCSC)n1)C(C)(C)C.
What is the InChIKey of (1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The InChIKey is LDHGVUVNPNYIFL-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-12(2,3)9(16-4)10-14-11(17-15-10)8(13)6-7-18-5/h8-9H,6-7,13H2,1-5H3/t8-,9?/m1/s1.
What are the key properties of (1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
(1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 104909630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).