[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine

C10H15N3OS — CID 115450992

IUPAC[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
SMILESNCC1(c2nc(C3CCCS3)no2)CC1
InChIInChI=1S/C10H15N3OS/c11-6-10(3-4-10)9-12-8(13-14-9)7-2-1-5-15-7/h7H,1-6,11H2
InChIKeyYUJDDGQSWKBNQX-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.63
Rot. Bonds3

About [1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine

[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine (PubChem CID 115450992) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is [1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
PubChem CID115450992
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
SMILESNCC1(c2nc(C3CCCS3)no2)CC1
InChIInChI=1S/C10H15N3OS/c11-6-10(3-4-10)9-12-8(13-14-9)7-2-1-5-15-7/h7H,1-6,11H2
InChIKeyYUJDDGQSWKBNQX-UHFFFAOYSA-N
XLogP1.63
TPSA64.94 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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450845
[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020
4-methyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80621178
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
[1-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442832
[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 80620335
[4-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 103344447
[1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433828
5-(2-methylpyrrolidin-2-yl)-3-(thian-2-yl)-1,2,4-oxadiazole
CID 80619909
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 80620897

Frequently Asked Questions

What is the IUPAC name of [1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine (CID 115450992) is [1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine is NCC1(c2nc(C3CCCS3)no2)CC1.
What is the InChIKey of [1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The InChIKey is YUJDDGQSWKBNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c11-6-10(3-4-10)9-12-8(13-14-9)7-2-1-5-15-7/h7H,1-6,11H2.
What are the key properties of [1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine has a molecular weight of 225.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine is sourced from PubChem (CID 115450992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).