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

C6H11N3OS — CID 60812558

IUPAC3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCSCCC(N)c1ncon1
InChIInChI=1S/C6H11N3OS/c1-11-3-2-5(7)6-8-4-10-9-6/h4-5H,2-3,7H2,1H3
InChIKeyKRMNJPDIACNDIL-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.82
Rot. Bonds4

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

3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine (PubChem CID 60812558) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine
PubChem CID60812558
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCSCCC(N)c1ncon1
InChIInChI=1S/C6H11N3OS/c1-11-3-2-5(7)6-8-4-10-9-6/h4-5H,2-3,7H2,1H3
InChIKeyKRMNJPDIACNDIL-UHFFFAOYSA-N
XLogP0.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine 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 3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine?
The IUPAC name of 3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine (CID 60812558) is 3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine is CSCCC(N)c1ncon1.
What is the InChIKey of 3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine?
The InChIKey is KRMNJPDIACNDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-11-3-2-5(7)6-8-4-10-9-6/h4-5H,2-3,7H2,1H3.
What are the key properties of 3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine?
3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine has a molecular weight of 173.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 60812558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).