[4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C15H26N4OS — CID 103594984

IUPAC[4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc(C3CSCCN3C)no2)CC1
InChIInChI=1S/C15H26N4OS/c1-11-3-5-15(10-16,6-4-11)14-17-13(18-20-14)12-9-21-8-7-19(12)2/h11-12H,3-10,16H2,1-2H3
InChIKeyTXYQGTRDTYGWGZ-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.20
Rot. Bonds3

About [4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

[4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 103594984) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is [4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID103594984
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name[4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc(C3CSCCN3C)no2)CC1
InChIInChI=1S/C15H26N4OS/c1-11-3-5-15(10-16,6-4-11)14-17-13(18-20-14)12-9-21-8-7-19(12)2/h11-12H,3-10,16H2,1-2H3
InChIKeyTXYQGTRDTYGWGZ-UHFFFAOYSA-N
XLogP2.20
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine with MolForge

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Related Compounds

[1-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442832
2-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103594747
5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
CID 103594787
4-methyl-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 106446091
[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442802
[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115442761
4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 103594721
2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594958
3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 106445899
[1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442828
[1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 113310598
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527981

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 103594984) is [4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is CC1CCC(CN)(c2nc(C3CSCCN3C)no2)CC1.
What is the InChIKey of [4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is TXYQGTRDTYGWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-11-3-5-15(10-16,6-4-11)14-17-13(18-20-14)12-9-21-8-7-19(12)2/h11-12H,3-10,16H2,1-2H3.
What are the key properties of [4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 310.47 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 103594984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).