(1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine

C10H19N3OS — CID 104904166

IUPAC(1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCCSCc1noc([C@H](N)CC(C)C)n1
InChIInChI=1S/C10H19N3OS/c1-4-15-6-9-12-10(14-13-9)8(11)5-7(2)3/h7-8H,4-6,11H2,1-3H3/t8-/m1/s1
InChIKeyVRLYWJPPJOUQHI-MRVPVSSYSA-N
MW229.35 g/mol
LogP2.37
Rot. Bonds6

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

(1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (PubChem CID 104904166) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is (1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
PubChem CID104904166
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name(1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCCSCc1noc([C@H](N)CC(C)C)n1
InChIInChI=1S/C10H19N3OS/c1-4-15-6-9-12-10(14-13-9)8(11)5-7(2)3/h7-8H,4-6,11H2,1-3H3/t8-/m1/s1
InChIKeyVRLYWJPPJOUQHI-MRVPVSSYSA-N
XLogP2.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-3-methyl-1-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904168
(1S)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881157
(1S)-3-methyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880721
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65222089
(1R)-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 106814666
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685872
2-amino-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 65138167
(1R)-1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904228
(1S)-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880958
3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43108532
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65094593
2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65141616

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (CID 104904166) is (1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is CCSCc1noc([C@H](N)CC(C)C)n1.
What is the InChIKey of (1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The InChIKey is VRLYWJPPJOUQHI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-15-6-9-12-10(14-13-9)8(11)5-7(2)3/h7-8H,4-6,11H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
(1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 104904166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).