4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

C10H15N3O2S — CID 83200899

IUPAC4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESNC1CSCC1c1nc(C2CCOC2)no1
InChIInChI=1S/C10H15N3O2S/c11-8-5-16-4-7(8)10-12-9(13-15-10)6-1-2-14-3-6/h6-8H,1-5,11H2
InChIKeyKIZNSPNIFMZMBG-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.73
Rot. Bonds2

About 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 83200899) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound Name4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID83200899
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESNC1CSCC1c1nc(C2CCOC2)no1
InChIInChI=1S/C10H15N3O2S/c11-8-5-16-4-7(8)10-12-9(13-15-10)6-1-2-14-3-6/h6-8H,1-5,11H2
InChIKeyKIZNSPNIFMZMBG-UHFFFAOYSA-N
XLogP0.73
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83200734
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240495
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83200552
4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200505
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 107924599
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 65330720
cis-(3R,4S)-3-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 98878690
5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015557
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83193007
4-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201567
3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
4-[3-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 106602068

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 83200899) is 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is NC1CSCC1c1nc(C2CCOC2)no1.
What is the InChIKey of 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is KIZNSPNIFMZMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-8-5-16-4-7(8)10-12-9(13-15-10)6-1-2-14-3-6/h6-8H,1-5,11H2.
What are the key properties of 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 241.32 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 83200899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).