N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C15H26N4OS — CID 106446094

IUPACN-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCNC1CCCCC1c1nc(C2CSCCN2C)no1
InChIInChI=1S/C15H26N4OS/c1-3-16-12-7-5-4-6-11(12)15-17-14(18-20-15)13-10-21-9-8-19(13)2/h11-13,16H,3-10H2,1-2H3
InChIKeyCPQIUYFRQUSKFA-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.42
Rot. Bonds4

About N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 106446094) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID106446094
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCNC1CCCCC1c1nc(C2CSCCN2C)no1
InChIInChI=1S/C15H26N4OS/c1-3-16-12-7-5-4-6-11(12)15-17-14(18-20-15)13-10-21-9-8-19(13)2/h11-13,16H,3-10H2,1-2H3
InChIKeyCPQIUYFRQUSKFA-UHFFFAOYSA-N
XLogP2.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclohexan-1-amine
CID 65424411
N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80637975
3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 106445899
N-ethyl-4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201081
N-ethyl-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 65415278
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclopentan-1-amine
CID 55201257
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine
CID 83201313
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63349479
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 63892003
N-ethyl-4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200739
(3R,5R)-5-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 103594990
N-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 106446088

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 106446094) is N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CCNC1CCCCC1c1nc(C2CSCCN2C)no1.
What is the InChIKey of N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is CPQIUYFRQUSKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-3-16-12-7-5-4-6-11(12)15-17-14(18-20-15)13-10-21-9-8-19(13)2/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 310.47 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 106446094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).