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

C12H23N5OS — CID 104909531

IUPAC(1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
SMILESCSCC[C@@H](N)c1nc(C2CN(C)CCN2C)no1
InChIInChI=1S/C12H23N5OS/c1-16-5-6-17(2)10(8-16)11-14-12(18-15-11)9(13)4-7-19-3/h9-10H,4-8,13H2,1-3H3/t9-,10?/m1/s1
InChIKeyHEWZFEPGDWBSBX-YHMJZVADSA-N
MW285.42 g/mol
LogP0.74
Rot. Bonds5

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

(1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine (PubChem CID 104909531) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is (1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
PubChem CID104909531
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name(1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
SMILESCSCC[C@@H](N)c1nc(C2CN(C)CCN2C)no1
InChIInChI=1S/C12H23N5OS/c1-16-5-6-17(2)10(8-16)11-14-12(18-15-11)9(13)4-7-19-3/h9-10H,4-8,13H2,1-3H3/t9-,10?/m1/s1
InChIKeyHEWZFEPGDWBSBX-YHMJZVADSA-N
XLogP0.74
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(1R)-1-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915459
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79666639
(1R)-3-methylsulfanyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909472
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 65402446
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 79667234
5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847621
1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79666053
(1S)-3-amino-1-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837212
(1R)-3-methylsulfanyl-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909541
(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104909677
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 113308049
1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine;hydrochloride
CID 71828949

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of (1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine (CID 104909531) is (1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine is CSCC[C@@H](N)c1nc(C2CN(C)CCN2C)no1.
What is the InChIKey of (1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The InChIKey is HEWZFEPGDWBSBX-YHMJZVADSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-16-5-6-17(2)10(8-16)11-14-12(18-15-11)9(13)4-7-19-3/h9-10H,4-8,13H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
(1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine has a molecular weight of 285.42 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 104909531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).