4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine

C10H15N3OS — CID 83201312

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine
SMILESCNC1CSCC1c1nc(C2CC2)no1
InChIInChI=1S/C10H15N3OS/c1-11-8-5-15-4-7(8)10-12-9(13-14-10)6-2-3-6/h6-8,11H,2-5H2,1H3
InChIKeyOGDGXZFMNQCTIA-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.37
Rot. Bonds3

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine (PubChem CID 83201312) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine
PubChem CID83201312
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine
SMILESCNC1CSCC1c1nc(C2CC2)no1
InChIInChI=1S/C10H15N3OS/c1-11-8-5-15-4-7(8)10-12-9(13-14-10)6-2-3-6/h6-8,11H,2-5H2,1H3
InChIKeyOGDGXZFMNQCTIA-UHFFFAOYSA-N
XLogP1.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201490
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine
CID 83201313
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylthiolan-3-amine
CID 83201545
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83201061
N-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350797
4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83201558
N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 116809129
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine
CID 66237641
N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474441
4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83200736
4-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83191927
N-ethyl-4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201081

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine (CID 83201312) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine is CNC1CSCC1c1nc(C2CC2)no1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine?
The InChIKey is OGDGXZFMNQCTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-11-8-5-15-4-7(8)10-12-9(13-14-10)6-2-3-6/h6-8,11H,2-5H2,1H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine has a molecular weight of 225.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine is sourced from PubChem (CID 83201312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).