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

C11H20N4OS — CID 113291096

IUPACN,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCN(C)CCc1noc(CC2CSCCN2)n1
InChIInChI=1S/C11H20N4OS/c1-15(2)5-3-10-13-11(16-14-10)7-9-8-17-6-4-12-9/h9,12H,3-8H2,1-2H3
InChIKeyNSVIBAMHOZNGDU-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.42
Rot. Bonds5

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

N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 113291096) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID113291096
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCN(C)CCc1noc(CC2CSCCN2)n1
InChIInChI=1S/C11H20N4OS/c1-15(2)5-3-10-13-11(16-14-10)7-9-8-17-6-4-12-9/h9,12H,3-8H2,1-2H3
InChIKeyNSVIBAMHOZNGDU-UHFFFAOYSA-N
XLogP0.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66445438
3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66443481
3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 116807073
3-[(3-bromophenyl)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66445829
3-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 115345453
3-(1-adamantyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 119947899
3-(1,4-dioxan-2-yl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66443293
3-(4-methoxyphenyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66445246
3-(1-ethoxy-2-methylpropyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 116703126
3-(4-methyl-3-pyridinyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 114877020
5-(thiomorpholin-3-ylmethyl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
CID 66445248
3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 116742446

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 113291096) is N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CN(C)CCc1noc(CC2CSCCN2)n1.
What is the InChIKey of N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is NSVIBAMHOZNGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-15(2)5-3-10-13-11(16-14-10)7-9-8-17-6-4-12-9/h9,12H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 256.37 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 113291096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).