1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine

C9H15N3OS — CID 115081132

IUPAC1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(CC2CCCS2)no1
InChIInChI=1S/C9H15N3OS/c1-6(10)9-11-8(12-13-9)5-7-3-2-4-14-7/h6-7H,2-5,10H2,1H3
InChIKeyDEXOMUKVIZIHCJ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.53
Rot. Bonds3

About 1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine

1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115081132) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115081132
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(CC2CCCS2)no1
InChIInChI=1S/C9H15N3OS/c1-6(10)9-11-8(12-13-9)5-7-3-2-4-14-7/h6-7H,2-5,10H2,1H3
InChIKeyDEXOMUKVIZIHCJ-UHFFFAOYSA-N
XLogP1.53
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081147
1-[3-[(1,1-dioxothian-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081152
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole
CID 115080734
N-methyl-3-[5-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078245
2-[2-(thiolan-2-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088655
2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80620093
2,2-dimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43470381
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
(1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane
CID 162061576
1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115385268
(1R)-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915241

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 115081132) is 1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)c1nc(CC2CCCS2)no1.
What is the InChIKey of 1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is DEXOMUKVIZIHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(10)9-11-8(12-13-9)5-7-3-2-4-14-7/h6-7H,2-5,10H2,1H3.
What are the key properties of 1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 213.31 g/mol, XLogP of 1.53, 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-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115081132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).