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

C10H17N3OS — CID 115081018

IUPACN-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(C)c1nc(CC2CCSC2)no1
InChIInChI=1S/C10H17N3OS/c1-7(11-2)10-12-9(13-14-10)5-8-3-4-15-6-8/h7-8,11H,3-6H2,1-2H3
InChIKeyRHGSGVQZPZCHKN-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.65
Rot. Bonds4

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

N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115081018) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115081018
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(C)c1nc(CC2CCSC2)no1
InChIInChI=1S/C10H17N3OS/c1-7(11-2)10-12-9(13-14-10)5-8-3-4-15-6-8/h7-8,11H,3-6H2,1-2H3
InChIKeyRHGSGVQZPZCHKN-UHFFFAOYSA-N
XLogP1.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192
1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081200
N-methyl-3-[5-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077404
N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081238
N-[1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 113362298
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
[3-(thian-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 115079916
N-methyl-3-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078631
N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 115091138
N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62800359
3-[3-(thian-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081659
2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine
CID 112754325

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 115081018) is N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CNC(C)c1nc(CC2CCSC2)no1.
What is the InChIKey of N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is RHGSGVQZPZCHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(11-2)10-12-9(13-14-10)5-8-3-4-15-6-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115081018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).