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

C14H25N3O2S — CID 104909661

IUPAC(1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
SMILESCOC1(c2noc([C@H](N)CCSC)n2)CCCCCC1
InChIInChI=1S/C14H25N3O2S/c1-18-14(8-5-3-4-6-9-14)13-16-12(19-17-13)11(15)7-10-20-2/h11H,3-10,15H2,1-2H3/t11-/m1/s1
InChIKeyWWTIMULUHWVUCC-LLVKDONJSA-N
MW299.44 g/mol
LogP3.02
Rot. Bonds6

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

(1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine (PubChem CID 104909661) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is (1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
PubChem CID104909661
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name(1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
SMILESCOC1(c2noc([C@H](N)CCSC)n2)CCCCCC1
InChIInChI=1S/C14H25N3O2S/c1-18-14(8-5-3-4-6-9-14)13-16-12(19-17-13)11(15)7-10-20-2/h11H,3-10,15H2,1-2H3/t11-/m1/s1
InChIKeyWWTIMULUHWVUCC-LLVKDONJSA-N
XLogP3.02
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 116742099
(1S)-1-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909658
(1S)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909650
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918176
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine
CID 116701304
(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915552
6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 104609629
(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899668
3-amino-3-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116743355
(1R)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565597

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of (1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine (CID 104909661) is (1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine is COC1(c2noc([C@H](N)CCSC)n2)CCCCCC1.
What is the InChIKey of (1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The InChIKey is WWTIMULUHWVUCC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-18-14(8-5-3-4-6-9-14)13-16-12(19-17-13)11(15)7-10-20-2/h11H,3-10,15H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
(1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 3.02, 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-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 104909661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).