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

C11H17N3OS — CID 107924599

IUPAC4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCC1(C)CC1c1noc(C2CSCC2N)n1
InChIInChI=1S/C11H17N3OS/c1-11(2)3-7(11)9-13-10(15-14-9)6-4-16-5-8(6)12/h6-8H,3-5,12H2,1-2H3
InChIKeyWEFDVDJDNBRGLM-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.74
Rot. Bonds2

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

4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 107924599) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound Name4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID107924599
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCC1(C)CC1c1noc(C2CSCC2N)n1
InChIInChI=1S/C11H17N3OS/c1-11(2)3-7(11)9-13-10(15-14-9)6-4-16-5-8(6)12/h6-8H,3-5,12H2,1-2H3
InChIKeyWEFDVDJDNBRGLM-UHFFFAOYSA-N
XLogP1.74
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83200734
4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200505
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200899
4-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201567
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83193007
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 107924444
5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116809410
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201156
4-[3-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 106602068
4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83191973
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781338
4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83192280

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 107924599) is 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is CC1(C)CC1c1noc(C2CSCC2N)n1.
What is the InChIKey of 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is WEFDVDJDNBRGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(2)3-7(11)9-13-10(15-14-9)6-4-16-5-8(6)12/h6-8H,3-5,12H2,1-2H3.
What are the key properties of 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 239.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 107924599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).