4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine

C14H25N3OS2 — CID 83201243

IUPAC4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1c1nc(CSC(C)(C)C)no1
InChIInChI=1S/C14H25N3OS2/c1-5-6-15-11-8-19-7-10(11)13-16-12(17-18-13)9-20-14(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyOEBCMUIUJPDFIH-UHFFFAOYSA-N
MW315.51 g/mol
LogP3.30
Rot. Bonds6

About 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine

4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine (PubChem CID 83201243) has the molecular formula C14H25N3OS2 and a molecular weight of 315.51 g/mol. Its IUPAC name is 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine.

Molecular Properties

Compound Name4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
PubChem CID83201243
Molecular FormulaC14H25N3OS2
Molecular Weight315.51 g/mol
Exact Mass315.14
IUPAC Name4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1c1nc(CSC(C)(C)C)no1
InChIInChI=1S/C14H25N3OS2/c1-5-6-15-11-8-19-7-10(11)13-16-12(17-18-13)9-20-14(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyOEBCMUIUJPDFIH-UHFFFAOYSA-N
XLogP3.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-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 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The IUPAC name of 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine (CID 83201243) is 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine.
What is the SMILES notation for 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The canonical SMILES for 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine is CCCNC1CSCC1c1nc(CSC(C)(C)C)no1.
What is the InChIKey of 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The InChIKey is OEBCMUIUJPDFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS2/c1-5-6-15-11-8-19-7-10(11)13-16-12(17-18-13)9-20-14(2,3)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine has a molecular weight of 315.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine is sourced from PubChem (CID 83201243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).