1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine

C9H15N3OS — CID 64669476

IUPAC1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCSCc1noc(C(C)(N)C2CC2)n1
InChIInChI=1S/C9H15N3OS/c1-9(10,6-3-4-6)8-11-7(5-14-2)12-13-8/h6H,3-5,10H2,1-2H3
InChIKeyODTYNPKNKDTRMZ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.52
Rot. Bonds4

About 1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine

1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 64669476) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID64669476
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCSCc1noc(C(C)(N)C2CC2)n1
InChIInChI=1S/C9H15N3OS/c1-9(10,6-3-4-6)8-11-7(5-14-2)12-13-8/h6H,3-5,10H2,1-2H3
InChIKeyODTYNPKNKDTRMZ-UHFFFAOYSA-N
XLogP1.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 64669476) is 1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CSCc1noc(C(C)(N)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is ODTYNPKNKDTRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(10,6-3-4-6)8-11-7(5-14-2)12-13-8/h6H,3-5,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 213.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 64669476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).