1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine

C9H15N3OS — CID 43109918

IUPAC1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc(C2CC2)no1
InChIInChI=1S/C9H15N3OS/c1-14-5-4-7(10)9-11-8(12-13-9)6-2-3-6/h6-7H,2-5,10H2,1H3
InChIKeyZGPQOCFPXADGIM-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.70
Rot. Bonds5

About 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine

1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 43109918) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
PubChem CID43109918
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc(C2CC2)no1
InChIInChI=1S/C9H15N3OS/c1-14-5-4-7(10)9-11-8(12-13-9)6-2-3-6/h6-7H,2-5,10H2,1H3
InChIKeyZGPQOCFPXADGIM-UHFFFAOYSA-N
XLogP1.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine (CID 43109918) is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine is CSCCC(N)c1nc(C2CC2)no1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is ZGPQOCFPXADGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-14-5-4-7(10)9-11-8(12-13-9)6-2-3-6/h6-7H,2-5,10H2,1H3.
What are the key properties of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine?
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 213.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 43109918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).