(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

C11H20N4OS — CID 104909677

IUPAC(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCSCC[C@H](N)c1nc(N2CCCCC2)no1
InChIInChI=1S/C11H20N4OS/c1-17-8-5-9(12)10-13-11(14-16-10)15-6-3-2-4-7-15/h9H,2-8,12H2,1H3/t9-/m0/s1
InChIKeyZLZRZMUJSRQNNU-VIFPVBQESA-N
MW256.37 g/mol
LogP1.81
Rot. Bonds5

About (1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 104909677) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is (1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID104909677
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCSCC[C@H](N)c1nc(N2CCCCC2)no1
InChIInChI=1S/C11H20N4OS/c1-17-8-5-9(12)10-13-11(14-16-10)15-6-3-2-4-7-15/h9H,2-8,12H2,1H3/t9-/m0/s1
InChIKeyZLZRZMUJSRQNNU-VIFPVBQESA-N
XLogP1.81
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565626
(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565624
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116807974
(1S)-3-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104983514
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285
6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 116807269
3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809180
1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine;hydrochloride
CID 71828949
(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104902244
(1R)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909625
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116808114

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 104909677) is (1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CSCC[C@H](N)c1nc(N2CCCCC2)no1.
What is the InChIKey of (1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is ZLZRZMUJSRQNNU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4OS/c1-17-8-5-9(12)10-13-11(14-16-10)15-6-3-2-4-7-15/h9H,2-8,12H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 256.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 104909677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).